smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+][C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC000160751888 290834908 /nfs/dbraw/zinc/83/49/08/290834908.db2.gz DWFPXWWGVAEEGJ-HNNXBMFYSA-N 1 0 306.837 2.972 20 70 DFIDRO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000159646397 186132974 /nfs/dbraw/zinc/13/29/74/186132974.db2.gz LCVSTRWNZQWMAA-QWHCGFSZSA-N 1 0 308.447 2.898 20 70 DFIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H](O)c2ccccc2)C1 ZINC000159649743 186133019 /nfs/dbraw/zinc/13/30/19/186133019.db2.gz XRIMUGMPCATMEW-JZXOWHBKSA-N 1 0 318.461 2.594 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000159674451 186134496 /nfs/dbraw/zinc/13/44/96/186134496.db2.gz FTLWOYPQSLVSBF-GZBFAFLISA-N 1 0 311.447 2.556 20 70 DFIDRO C[C@@H](CNC(=O)N1CCc2cccc(F)c2C1)C[NH+]1CCCC1 ZINC000159743521 186139291 /nfs/dbraw/zinc/13/92/91/186139291.db2.gz QPABLZCUACTNCS-AWEZNQCLSA-N 1 0 319.424 2.625 20 70 DFIDRO Cc1ccc([C@H](C)CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000159447857 398964578 /nfs/dbraw/zinc/96/45/78/398964578.db2.gz BFSLANRIQJPRIL-CVEARBPZSA-N 1 0 303.450 2.740 20 70 DFIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1coc(-c2ccccc2)n1 ZINC000159496137 398964696 /nfs/dbraw/zinc/96/46/96/398964696.db2.gz IOQJJDOXDNREDF-HNNXBMFYSA-N 1 0 311.385 2.556 20 70 DFIDRO CC(C)[NH2+]CCC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000159379923 398964989 /nfs/dbraw/zinc/96/49/89/398964989.db2.gz PDAZMYBCOWQORT-CQSZACIVSA-N 1 0 324.396 2.710 20 70 DFIDRO C[C@H](c1cccc(O)c1)N(C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160628831 398971643 /nfs/dbraw/zinc/97/16/43/398971643.db2.gz CGFCGDGIWHMYNA-CJNGLKHVSA-N 1 0 317.433 2.579 20 70 DFIDRO C[NH+](C)Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000161417492 398976683 /nfs/dbraw/zinc/97/66/83/398976683.db2.gz GHRBUTJWHVROKP-UHFFFAOYSA-N 1 0 313.357 2.586 20 70 DFIDRO C[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)Oc1ccc(Cl)cc1 ZINC000161135048 197468898 /nfs/dbraw/zinc/46/88/98/197468898.db2.gz UZNVKFOBWNECKQ-OBJOEFQTSA-N 1 0 310.825 2.741 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)CCCCCc2ccc(OC)cc2)C1 ZINC000160578106 197423761 /nfs/dbraw/zinc/42/37/61/197423761.db2.gz HONUVBZDGIDSCQ-INIZCTEOSA-N 1 0 304.434 2.618 20 70 DFIDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)[C@H]1CCOC1 ZINC000160472956 197413939 /nfs/dbraw/zinc/41/39/39/197413939.db2.gz BIWJXQXIICMEKV-RDJZCZTQSA-N 1 0 303.450 2.833 20 70 DFIDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC1 ZINC000160434530 197410212 /nfs/dbraw/zinc/41/02/12/197410212.db2.gz KMAFQXXQTGVASC-QGZVFWFLSA-N 1 0 322.474 2.749 20 70 DFIDRO CCCCn1nc(C)c(/C=C/C(=O)N2CCC[C@@H]2C[NH3+])c1Cl ZINC000160315362 197399814 /nfs/dbraw/zinc/39/98/14/197399814.db2.gz FFTFYLURDRLCBE-SBDDDAINSA-N 1 0 324.856 2.608 20 70 DFIDRO C=C[C@H](CC(=O)NC1CC[NH+](CCOC)CC1)c1ccccc1 ZINC000160298974 197398342 /nfs/dbraw/zinc/39/83/42/197398342.db2.gz CFZMENGIMAIDJN-MRXNPFEDSA-N 1 0 316.445 2.573 20 70 DFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nccn(C2CC2)c1=O ZINC000160211882 197393054 /nfs/dbraw/zinc/39/30/54/197393054.db2.gz PSBFNJOKWNRDRM-YOEHRIQHSA-N 1 0 324.428 2.511 20 70 DFIDRO [NH3+]C[C@H]1CCCN1C(=O)COc1ccccc1-c1ccccc1 ZINC000160156870 197389824 /nfs/dbraw/zinc/38/98/24/197389824.db2.gz PVNZGQUTUGEVNP-MRXNPFEDSA-N 1 0 310.397 2.682 20 70 DFIDRO C#CCCCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000160132311 197388042 /nfs/dbraw/zinc/38/80/42/197388042.db2.gz LNXQTIFVRJBJQE-UHFFFAOYSA-N 1 0 313.445 2.885 20 70 DFIDRO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H](C)[NH3+])s2)cc1 ZINC000160128875 197388076 /nfs/dbraw/zinc/38/80/76/197388076.db2.gz ZRHCVRUKVQQJOI-VHSXEESVSA-N 1 0 319.430 2.652 20 70 DFIDRO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H](C)[NH3+])s2)cc1 ZINC000160129376 197388105 /nfs/dbraw/zinc/38/81/05/197388105.db2.gz ZRHCVRUKVQQJOI-NXEZZACHSA-N 1 0 319.430 2.652 20 70 DFIDRO O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000159974906 197377897 /nfs/dbraw/zinc/37/78/97/197377897.db2.gz ASNXVUGPZPCSBZ-VIFPVBQESA-N 1 0 320.286 2.705 20 70 DFIDRO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCn2ccnc2)CC1 ZINC000159852235 197369392 /nfs/dbraw/zinc/36/93/92/197369392.db2.gz SCCAIXYHTUYYKN-HNNXBMFYSA-N 1 0 318.852 2.915 20 70 DFIDRO O=C1CCCN1CCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000159559387 197361613 /nfs/dbraw/zinc/36/16/13/197361613.db2.gz KFYMNBUXHYXZGE-MRXNPFEDSA-N 1 0 304.459 2.619 20 70 DFIDRO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1NC(=O)C(C)(C)C ZINC000159528556 197361137 /nfs/dbraw/zinc/36/11/37/197361137.db2.gz HYJLAQXAXCFGMX-CYBMUJFWSA-N 1 0 317.433 2.918 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)NCCOc1ccccc1C(C)(C)C ZINC000159512748 197359888 /nfs/dbraw/zinc/35/98/88/197359888.db2.gz BLTZKWYJJLQGDR-AWEZNQCLSA-N 1 0 324.490 2.560 20 70 DFIDRO c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159504720 197359105 /nfs/dbraw/zinc/35/91/05/197359105.db2.gz JPOJIAWTBPEHTH-NXHRZFHOSA-N 1 0 313.445 2.729 20 70 DFIDRO c1cc(N2CCCC2)ncc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159504613 197358764 /nfs/dbraw/zinc/35/87/64/197358764.db2.gz JPOJIAWTBPEHTH-SZMVWBNQSA-N 1 0 313.445 2.729 20 70 DFIDRO [NH3+]C1(CNC(=O)c2ccccc2Br)CCCCC1 ZINC000159503900 197358808 /nfs/dbraw/zinc/35/88/08/197358808.db2.gz QYQGJPMWSPYICN-UHFFFAOYSA-N 1 0 311.223 2.841 20 70 DFIDRO [NH3+]C1(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CCCCC1 ZINC000159504334 197358489 /nfs/dbraw/zinc/35/84/89/197358489.db2.gz ZFNUWLUFZGHSAW-SJORKVTESA-N 1 0 316.445 2.932 20 70 DFIDRO COc1cc(C)c([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1OC ZINC000159482871 197356871 /nfs/dbraw/zinc/35/68/71/197356871.db2.gz JWVGTPNSJPLVDI-CQSZACIVSA-N 1 0 320.433 2.675 20 70 DFIDRO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(OCC3CCOCC3)cc2)C1 ZINC000159413118 197351775 /nfs/dbraw/zinc/35/17/75/197351775.db2.gz MBVABOIMCRKTOD-HUUCEWRRSA-N 1 0 318.417 2.558 20 70 DFIDRO Cc1nccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1Cl ZINC000159375164 542717341 /nfs/dbraw/zinc/71/73/41/542717341.db2.gz WWYOPVFTFDNGBV-GWCFXTLKSA-N 1 0 310.829 2.894 20 70 DFIDRO Cc1nccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1Cl ZINC000159534347 542717744 /nfs/dbraw/zinc/71/77/44/542717744.db2.gz MMISQJGAXVOXNK-TZMCWYRMSA-N 1 0 322.840 2.991 20 70 DFIDRO Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000159500212 542717755 /nfs/dbraw/zinc/71/77/55/542717755.db2.gz YSTVDGSAIQUGHY-RHSMWYFYSA-N 1 0 314.433 2.871 20 70 DFIDRO O[C@@H](C[NH2+]Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000160326259 542721564 /nfs/dbraw/zinc/72/15/64/542721564.db2.gz KMXRGACRQJRKKJ-AWEZNQCLSA-N 1 0 321.218 2.858 20 70 DFIDRO Cc1ccc(C(C)C)cc1OCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161157736 542727050 /nfs/dbraw/zinc/72/70/50/542727050.db2.gz LHTURUNXUJMNHX-HZPDHXFCSA-N 1 0 304.434 2.883 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)Nc1nn(-c2ccccc2)cc1C ZINC000161214023 542727522 /nfs/dbraw/zinc/72/75/22/542727522.db2.gz RZBGSMGFXWGMSR-UHFFFAOYSA-N 1 0 300.406 2.884 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)C1 ZINC000161313578 542728965 /nfs/dbraw/zinc/72/89/65/542728965.db2.gz BZDMOYQGDIQKIO-QWRGUYRKSA-N 1 0 318.808 2.730 20 70 DFIDRO CO[C@@H](CNC(=O)c1ccc(C[NH3+])o1)c1cccc(Cl)c1 ZINC000161410238 542729779 /nfs/dbraw/zinc/72/97/79/542729779.db2.gz IXIIEXZVVCTVNU-AWEZNQCLSA-N 1 0 308.765 2.509 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000160776135 542724223 /nfs/dbraw/zinc/72/42/23/542724223.db2.gz FIFAIEICSMQNDJ-CABCVRRESA-N 1 0 313.401 2.660 20 70 DFIDRO Cc1ccc(OCCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000160790125 542724442 /nfs/dbraw/zinc/72/44/42/542724442.db2.gz GQJDJQKFDREIPS-HOTGVXAUSA-N 1 0 304.434 2.849 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000160905483 542724987 /nfs/dbraw/zinc/72/49/87/542724987.db2.gz IHJNDIZPUJSNBQ-GHMZBOCLSA-N 1 0 317.216 2.758 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000160905371 542725041 /nfs/dbraw/zinc/72/50/41/542725041.db2.gz IHJNDIZPUJSNBQ-QWRGUYRKSA-N 1 0 317.216 2.758 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000160905221 542725710 /nfs/dbraw/zinc/72/57/10/542725710.db2.gz IHJNDIZPUJSNBQ-WDEREUQCSA-N 1 0 317.216 2.758 20 70 DFIDRO CC[NH+](CC)CCCNC(=O)Nc1cc(OC)cc(OC)c1 ZINC000217273938 542876235 /nfs/dbraw/zinc/87/62/35/542876235.db2.gz FXEGPGDKXDJZDP-UHFFFAOYSA-N 1 0 309.410 2.557 20 70 DFIDRO O=C(NCCC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000217268415 542876686 /nfs/dbraw/zinc/87/66/86/542876686.db2.gz BNXOIZFTVJMSKR-UHFFFAOYSA-N 1 0 311.223 2.569 20 70 DFIDRO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000218674477 542878784 /nfs/dbraw/zinc/87/87/84/542878784.db2.gz LNBCLTIOLNBQQJ-FMKPAKJESA-N 1 0 302.418 2.747 20 70 DFIDRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000218674031 542879070 /nfs/dbraw/zinc/87/90/70/542879070.db2.gz YQNRYSSUKAFUNP-CHWSQXEVSA-N 1 0 303.406 2.704 20 70 DFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000159589963 145220020 /nfs/dbraw/zinc/22/00/20/145220020.db2.gz KVJRGNFZKNEKHX-MWLCHTKSSA-N 1 0 318.314 2.930 20 70 DFIDRO Cc1cccc(CN2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)c1 ZINC000218751230 146000203 /nfs/dbraw/zinc/00/02/03/146000203.db2.gz WTAFKFKXXOXHBF-OAQYLSRUSA-N 1 0 324.468 2.716 20 70 DFIDRO CSC[C@@](C)(O)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000217863160 146000581 /nfs/dbraw/zinc/00/05/81/146000581.db2.gz IBRIYUYITCQTDU-LBPRGKRZSA-N 1 0 309.353 2.789 20 70 DFIDRO Cc1ccc([C@H](C[NH2+]C2CCC3(CC2)OCCO3)N(C)C)cc1 ZINC000161378795 292254926 /nfs/dbraw/zinc/25/49/26/292254926.db2.gz YDZBEGKJRMGQLC-SFHVURJKSA-N 1 0 318.461 2.873 20 70 DFIDRO COCCN(C)CC[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000159402621 292426866 /nfs/dbraw/zinc/42/68/66/292426866.db2.gz JSTXXCPPVOTDJL-QGZVFWFLSA-N 1 0 306.450 2.685 20 70 DFIDRO CCO/C=C(/C#N)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000159396980 266178334 /nfs/dbraw/zinc/17/83/34/266178334.db2.gz NWYWLMDXDOOJAB-IZCBMXNHSA-N 1 0 315.417 2.676 20 70 DFIDRO CCN(c1ccc(C(=O)NCC2([NH3+])CCCCC2)cn1)C(C)C ZINC000159533341 267529215 /nfs/dbraw/zinc/52/92/15/267529215.db2.gz BKLIWIVYAZSVKW-UHFFFAOYSA-N 1 0 318.465 2.708 20 70 DFIDRO C[C@@H](C(=O)N(C)CCC1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000160353331 425980751 /nfs/dbraw/zinc/98/07/51/425980751.db2.gz CUDDDGSZUXFKRY-RHSMWYFYSA-N 1 0 304.434 2.598 20 70 DFIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(OC)cc1 ZINC000160420192 425981272 /nfs/dbraw/zinc/98/12/72/425981272.db2.gz INYSOBHKOIMWNU-ZBFHGGJFSA-N 1 0 300.406 2.651 20 70 DFIDRO C[C@H](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(C)(C)C ZINC000160462833 425983198 /nfs/dbraw/zinc/98/31/98/425983198.db2.gz NZAUGSBMDQMEQJ-OIISXLGYSA-N 1 0 324.509 2.943 20 70 DFIDRO Cc1ccc(Br)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160441316 425983362 /nfs/dbraw/zinc/98/33/62/425983362.db2.gz FDYVBWWCHPIPCE-BETUJISGSA-N 1 0 323.234 2.724 20 70 DFIDRO CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160489853 425983843 /nfs/dbraw/zinc/98/38/43/425983843.db2.gz GPKBZGFOGVNGER-RDTXWAMCSA-N 1 0 321.417 2.756 20 70 DFIDRO C[C@H]1C[NH+](C[C@@H]2CCCN2c2cccc(F)c2C#N)C[C@H](C)O1 ZINC000160473167 425984050 /nfs/dbraw/zinc/98/40/50/425984050.db2.gz TWELRSXZLYADAD-KKUMJFAQSA-N 1 0 317.408 2.775 20 70 DFIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccccc1OC ZINC000160533157 425986282 /nfs/dbraw/zinc/98/62/82/425986282.db2.gz PUICGIPBTFFQKT-HIFRSBDPSA-N 1 0 300.406 2.651 20 70 DFIDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160541780 425986469 /nfs/dbraw/zinc/98/64/69/425986469.db2.gz LEPGUQHJADUNEC-KXBFYZLASA-N 1 0 318.461 2.805 20 70 DFIDRO CC1(C)Cc2occc2[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000160549761 425986497 /nfs/dbraw/zinc/98/64/97/425986497.db2.gz CDPJSGUHYVCZKJ-JTQLQIEISA-N 1 0 304.312 2.561 20 70 DFIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000160543775 425986660 /nfs/dbraw/zinc/98/66/60/425986660.db2.gz OTHSZKQIHAMHBW-SNVBAGLBSA-N 1 0 300.324 2.504 20 70 DFIDRO COCC[NH2+]CC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 ZINC000160530413 425986839 /nfs/dbraw/zinc/98/68/39/425986839.db2.gz TXDHVLKNDNQTNU-OAHLLOKOSA-N 1 0 304.434 2.612 20 70 DFIDRO COc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000160557178 425987322 /nfs/dbraw/zinc/98/73/22/425987322.db2.gz SNIFHQDGQHRVOY-LBPRGKRZSA-N 1 0 324.377 2.659 20 70 DFIDRO C[C@@H]1CCN([C@H](C(N)=O)c2cccc(Br)c2)[C@@H]1C ZINC000160605226 425989500 /nfs/dbraw/zinc/98/95/00/425989500.db2.gz PJRUFSLIDBGEKU-BREBYQMCSA-N 1 0 311.223 2.706 20 70 DFIDRO CC(C)c1cccc(O[C@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160688538 425992811 /nfs/dbraw/zinc/99/28/11/425992811.db2.gz JZITXAZJUOSOCV-OIISXLGYSA-N 1 0 316.445 2.930 20 70 DFIDRO C[NH+](C)CCCOc1ccc(CNC(=O)NC2(C)CCC2)cc1 ZINC000160713571 425993393 /nfs/dbraw/zinc/99/33/93/425993393.db2.gz AUPBNAQWVSEKPV-UHFFFAOYSA-N 1 0 319.449 2.759 20 70 DFIDRO CC(C)[C@H](O)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000160811581 425996244 /nfs/dbraw/zinc/99/62/44/425996244.db2.gz PQEHOUBPWXNWSM-VBQJREDUSA-N 1 0 324.490 2.654 20 70 DFIDRO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160790852 425996368 /nfs/dbraw/zinc/99/63/68/425996368.db2.gz NUJOISNCBAYQCO-CABCVRRESA-N 1 0 314.433 2.828 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)C1 ZINC000160795505 425996893 /nfs/dbraw/zinc/99/68/93/425996893.db2.gz CEKSBOXBQCYRTJ-NXEZZACHSA-N 1 0 317.216 2.581 20 70 DFIDRO CC[NH+](CC)CCNC(=O)NCCc1cc2ccccc2o1 ZINC000160843169 425998011 /nfs/dbraw/zinc/99/80/11/425998011.db2.gz NXPWLCAFPYOJSB-UHFFFAOYSA-N 1 0 303.406 2.616 20 70 DFIDRO C[C@H](C[NH2+][C@@H]1CCCc2c1cnn2C)N(C)Cc1ccccc1 ZINC000160893912 426000289 /nfs/dbraw/zinc/00/02/89/426000289.db2.gz AYCPYLROKHEHHB-CRAIPNDOSA-N 1 0 312.461 2.908 20 70 DFIDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160894765 426000391 /nfs/dbraw/zinc/00/03/91/426000391.db2.gz NEYUUDZKEHRSMM-GDBMZVCRSA-N 1 0 310.482 2.506 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000160911127 426001511 /nfs/dbraw/zinc/00/15/11/426001511.db2.gz MNSMQCMNMBEYAF-OAHLLOKOSA-N 1 0 310.438 2.645 20 70 DFIDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160964107 426002948 /nfs/dbraw/zinc/00/29/48/426002948.db2.gz VTJPNLIZZDOSQQ-RHSMWYFYSA-N 1 0 320.389 2.601 20 70 DFIDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160964250 426003121 /nfs/dbraw/zinc/00/31/21/426003121.db2.gz VTJPNLIZZDOSQQ-PBHICJAKSA-N 1 0 320.389 2.601 20 70 DFIDRO CC(C)[NH+](CCSCC(=O)N(C)c1nccs1)C(C)C ZINC000160983488 426004049 /nfs/dbraw/zinc/00/40/49/426004049.db2.gz CSYFHXHUCPGWDX-UHFFFAOYSA-N 1 0 315.508 2.958 20 70 DFIDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000159424957 425960487 /nfs/dbraw/zinc/96/04/87/425960487.db2.gz APZBZQPCBXFQLV-YOEHRIQHSA-N 1 0 317.437 2.500 20 70 DFIDRO CCOc1ccccc1CCC(=O)NCC1([NH3+])CCCCC1 ZINC000159570702 425962897 /nfs/dbraw/zinc/96/28/97/425962897.db2.gz RFYLZLLGIFQBHL-UHFFFAOYSA-N 1 0 304.434 2.796 20 70 DFIDRO C[N@H+](CCNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)C1CCCCC1 ZINC000159604754 425963826 /nfs/dbraw/zinc/96/38/26/425963826.db2.gz CVERUZAMIVVWPX-WBVHZDCISA-N 1 0 323.481 2.508 20 70 DFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000159624728 425964022 /nfs/dbraw/zinc/96/40/22/425964022.db2.gz VDLOMKIENIERQO-GHMZBOCLSA-N 1 0 321.471 2.957 20 70 DFIDRO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(C(=O)c2cnccn2)CC1 ZINC000159657911 425964997 /nfs/dbraw/zinc/96/49/97/425964997.db2.gz YROIFBGQSDDAJB-OAHLLOKOSA-N 1 0 324.428 2.740 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN(c2ncc(Cl)cc2Br)C1 ZINC000159656606 425965198 /nfs/dbraw/zinc/96/51/98/425965198.db2.gz COVCMUHOQJDQLR-VIFPVBQESA-N 1 0 318.646 2.933 20 70 DFIDRO CSc1ccc(O[C@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159684527 425965305 /nfs/dbraw/zinc/96/53/05/425965305.db2.gz JAWVDNFNYSEXDM-MCIONIFRSA-N 1 0 320.458 2.529 20 70 DFIDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000159697076 425965353 /nfs/dbraw/zinc/96/53/53/425965353.db2.gz ASGKOIIWFZAOIZ-NWDGAFQWSA-N 1 0 318.343 2.682 20 70 DFIDRO COc1ccc2oc(C[N@@H+]3C[C@H](C(N)=O)CC[C@H]3C)cc2c1 ZINC000159704137 425965435 /nfs/dbraw/zinc/96/54/35/425965435.db2.gz CJAPJXDYHDGSMQ-VXGBXAGGSA-N 1 0 302.374 2.527 20 70 DFIDRO O=C(NC[C@@H]1CCc2ccccc21)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000159730022 425966707 /nfs/dbraw/zinc/96/67/07/425966707.db2.gz GHKZIKBRCJNLJQ-HKUYNNGSSA-N 1 0 306.409 2.547 20 70 DFIDRO O=C(CCc1ccc(OC(F)F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159731218 425966973 /nfs/dbraw/zinc/96/69/73/425966973.db2.gz UMOMIGNUJZOESE-OKILXGFUSA-N 1 0 324.371 2.574 20 70 DFIDRO CC[C@H](Oc1ccccc1F)C(=O)NCC1([NH3+])CCCCC1 ZINC000159768863 425967963 /nfs/dbraw/zinc/96/79/63/425967963.db2.gz FKAIHJYQUVBPMZ-AWEZNQCLSA-N 1 0 308.397 2.761 20 70 DFIDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CCCCO1 ZINC000159849266 425969531 /nfs/dbraw/zinc/96/95/31/425969531.db2.gz YCGRDLLLSIORDL-INIZCTEOSA-N 1 0 308.466 2.861 20 70 DFIDRO Cc1ccc(C(=O)CC[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1 ZINC000159959007 425971324 /nfs/dbraw/zinc/97/13/24/425971324.db2.gz SSVLEFHBIQMROF-MRXNPFEDSA-N 1 0 311.429 2.866 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)COCc1ccco1 ZINC000159950865 425971944 /nfs/dbraw/zinc/97/19/44/425971944.db2.gz KNWGDZYRSATWRI-CQSZACIVSA-N 1 0 324.446 2.567 20 70 DFIDRO C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cnn(C)c1 ZINC000159994971 425971994 /nfs/dbraw/zinc/97/19/94/425971994.db2.gz HFKXYORCSZTEOE-LBPRGKRZSA-N 1 0 318.387 2.735 20 70 DFIDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000160010853 425973415 /nfs/dbraw/zinc/97/34/15/425973415.db2.gz PTSAGPCWRYSMPY-QGZVFWFLSA-N 1 0 310.401 2.909 20 70 DFIDRO Cc1noc(C)c1[C@H](C)CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000160091001 425974038 /nfs/dbraw/zinc/97/40/38/425974038.db2.gz KTGZCCUBYUBSQD-WQVCFCJDSA-N 1 0 319.449 2.728 20 70 DFIDRO O=C(c1cncc(-c2ccccc2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160171754 425975155 /nfs/dbraw/zinc/97/51/55/425975155.db2.gz VPHFOKNNTJIODJ-HDICACEKSA-N 1 0 307.397 2.715 20 70 DFIDRO CC1(C)CCCC[C@@H]1CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000160248965 425977498 /nfs/dbraw/zinc/97/74/98/425977498.db2.gz DGHYLXQEJCTVCK-MRXNPFEDSA-N 1 0 322.493 2.916 20 70 DFIDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1coc(-c2ccccc2)n1 ZINC000160269265 425977620 /nfs/dbraw/zinc/97/76/20/425977620.db2.gz IFWQASKZBDOENS-DZGCQCFKSA-N 1 0 311.385 2.650 20 70 DFIDRO CCO[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2CCC[NH2+]2)C12CCCCC2 ZINC000161022089 426005503 /nfs/dbraw/zinc/00/55/03/426005503.db2.gz MYMMACDOCJDOFC-HRCADAONSA-N 1 0 308.466 2.715 20 70 DFIDRO Cc1nc(CC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c(C)s1 ZINC000160349126 425979268 /nfs/dbraw/zinc/97/92/68/425979268.db2.gz LCXSSVDNLDBZFH-YVEFUNNKSA-N 1 0 323.506 2.929 20 70 DFIDRO COc1cc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)ccc1C ZINC000160317233 425979363 /nfs/dbraw/zinc/97/93/63/425979363.db2.gz WCDXZNXPNBVSRB-ULQDDVLXSA-N 1 0 316.445 2.583 20 70 DFIDRO CC(=O)N(C)c1cccc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000160333099 425979899 /nfs/dbraw/zinc/97/98/99/425979899.db2.gz GHLYPYWWJAIQES-ZFWWWQNUSA-N 1 0 317.433 2.634 20 70 DFIDRO CN(CCC[NH+]1CCCC1)Cc1ccc(Br)o1 ZINC000161404840 426022991 /nfs/dbraw/zinc/02/29/91/426022991.db2.gz GMUAEKJCGLRARR-UHFFFAOYSA-N 1 0 301.228 2.960 20 70 DFIDRO c1ccc(NCCCC[NH2+]C2CCC3(CC2)OCCO3)nc1 ZINC000161423353 426023532 /nfs/dbraw/zinc/02/35/32/426023532.db2.gz JULBWDFGNJYKDI-UHFFFAOYSA-N 1 0 305.422 2.549 20 70 DFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCCC2(C)C)c1 ZINC000161500457 426026365 /nfs/dbraw/zinc/02/63/65/426026365.db2.gz FOQXXBFZTWGMJZ-DOMZBBRYSA-N 1 0 310.463 2.824 20 70 DFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000161495309 426026943 /nfs/dbraw/zinc/02/69/43/426026943.db2.gz SVBVIKNRDTUOOH-UWVGGRQHSA-N 1 0 324.368 2.586 20 70 DFIDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000161059054 426006381 /nfs/dbraw/zinc/00/63/81/426006381.db2.gz SYBPOTVFDUATCD-NJZAAPMLSA-N 1 0 310.825 2.532 20 70 DFIDRO CCO[C@@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)C12CCCC2 ZINC000161112753 426008838 /nfs/dbraw/zinc/00/88/38/426008838.db2.gz FNQAILMXXKHICU-JKSUJKDBSA-N 1 0 302.418 2.613 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000161094737 426009116 /nfs/dbraw/zinc/00/91/16/426009116.db2.gz OSLGNEUCTZPYKV-HZPDHXFCSA-N 1 0 322.399 2.916 20 70 DFIDRO c1ccc(OCCC[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000161141270 426009514 /nfs/dbraw/zinc/00/95/14/426009514.db2.gz XGPZFRVFSSZXFX-UHFFFAOYSA-N 1 0 311.429 2.668 20 70 DFIDRO CCN(Cc1ccccn1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000161143623 426009794 /nfs/dbraw/zinc/00/97/94/426009794.db2.gz YUYROWAGRXIWLC-GOSISDBHSA-N 1 0 309.413 2.923 20 70 DFIDRO O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N1CC[NH+](CC2CC2)CC1 ZINC000161130691 426010532 /nfs/dbraw/zinc/01/05/32/426010532.db2.gz VGFPXLRDRORLLY-HOCLYGCPSA-N 1 0 320.383 2.623 20 70 DFIDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)C1CC1 ZINC000161153944 426010816 /nfs/dbraw/zinc/01/08/16/426010816.db2.gz OPLNMMZNHGLZSU-NFAWXSAZSA-N 1 0 308.372 2.525 20 70 DFIDRO CC[N@H+](CCNC(=O)Nc1ccn(CCC(C)C)n1)C(C)C ZINC000161158009 426010938 /nfs/dbraw/zinc/01/09/38/426010938.db2.gz WZWDHKUCDGFIDI-UHFFFAOYSA-N 1 0 309.458 2.781 20 70 DFIDRO CC(=O)NC1CCC(Nc2ccc(C)cc2C[NH+](C)C)CC1 ZINC000161177787 426011214 /nfs/dbraw/zinc/01/12/14/426011214.db2.gz DNRCDFABSMMOTB-UHFFFAOYSA-N 1 0 303.450 2.916 20 70 DFIDRO C=C(C)CNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000161186269 426012297 /nfs/dbraw/zinc/01/22/97/426012297.db2.gz QFOJNDTYUBBXNO-MRXNPFEDSA-N 1 0 317.433 2.707 20 70 DFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000161210702 426013829 /nfs/dbraw/zinc/01/38/29/426013829.db2.gz VWUSWCYVZDIDBF-GOEBONIOSA-N 1 0 324.490 2.615 20 70 DFIDRO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000161259269 426015717 /nfs/dbraw/zinc/01/57/17/426015717.db2.gz WEOBXUNHZWKYQJ-RTBURBONSA-N 1 0 308.425 2.694 20 70 DFIDRO CCC[NH+]1CCC(NC(=O)N(CC)CCc2nccs2)CC1 ZINC000161268056 426015826 /nfs/dbraw/zinc/01/58/26/426015826.db2.gz XANYCUYDGXMTJM-UHFFFAOYSA-N 1 0 324.494 2.592 20 70 DFIDRO CC(C)[N@H+](C)CC(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000161260342 426015863 /nfs/dbraw/zinc/01/58/63/426015863.db2.gz CSGVDCWDTGIPAE-UHFFFAOYSA-N 1 0 318.461 2.661 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccccc2)o1 ZINC000161263341 426016048 /nfs/dbraw/zinc/01/60/48/426016048.db2.gz DARHGBOFTGRBGD-ZDUSSCGKSA-N 1 0 300.358 2.896 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(OCCC(C)C)cc1 ZINC000161274942 426016231 /nfs/dbraw/zinc/01/62/31/426016231.db2.gz YAAXUFYVUXQLSJ-INIZCTEOSA-N 1 0 304.434 2.936 20 70 DFIDRO Cc1nc2ncnn2c(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC000161295798 426016967 /nfs/dbraw/zinc/01/69/67/426016967.db2.gz OMEVHHCQYZMSHI-HNNXBMFYSA-N 1 0 316.453 2.521 20 70 DFIDRO CCn1cnnc1[C@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000161296937 426017254 /nfs/dbraw/zinc/01/72/54/426017254.db2.gz OUZYBKSUGQTPFE-INIZCTEOSA-N 1 0 314.433 2.729 20 70 DFIDRO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000161288030 426017623 /nfs/dbraw/zinc/01/76/23/426017623.db2.gz JWOAPCCBNMRQGM-CQSZACIVSA-N 1 0 313.380 2.688 20 70 DFIDRO CC[C@@H](C(=O)Nc1cccc(Oc2cccnn2)c1)[NH+](C)C ZINC000161303575 426018717 /nfs/dbraw/zinc/01/87/17/426018717.db2.gz FFGCEZPCQPCOLB-AWEZNQCLSA-N 1 0 300.362 2.548 20 70 DFIDRO COc1ccc(CCC[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161339950 426019533 /nfs/dbraw/zinc/01/95/33/426019533.db2.gz DZKHFEAKBAUQTE-UHFFFAOYSA-N 1 0 304.434 2.665 20 70 DFIDRO CC(C)[C@H](O)CC(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000161345555 426019728 /nfs/dbraw/zinc/01/97/28/426019728.db2.gz XNSJBAMXVYPIRF-GOSISDBHSA-N 1 0 316.445 2.579 20 70 DFIDRO CCC[C@@H](C(=O)N(C)Cc1ccccc1N1CCCC1)[NH+](C)C ZINC000161330046 426020385 /nfs/dbraw/zinc/02/03/85/426020385.db2.gz YROVWDFGYSJCGL-SFHVURJKSA-N 1 0 317.477 2.976 20 70 DFIDRO CC[C@H](C)OCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000161347064 426020389 /nfs/dbraw/zinc/02/03/89/426020389.db2.gz DBZZYOWNKRMXHZ-BQFCYCMXSA-N 1 0 318.461 2.828 20 70 DFIDRO C[N@H+](CC1CCOCC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161352806 426020605 /nfs/dbraw/zinc/02/06/05/426020605.db2.gz MTDXOGQWWSKAFH-UHFFFAOYSA-N 1 0 310.482 2.630 20 70 DFIDRO C[C@H]([NH2+]Cc1cc[nH]n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218177209 426566282 /nfs/dbraw/zinc/56/62/82/426566282.db2.gz LNHRVRYAKFAROO-QWHCGFSZSA-N 1 0 308.426 2.535 20 70 DFIDRO Cc1cccc(C)c1CCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000160209573 271079973 /nfs/dbraw/zinc/07/99/73/271079973.db2.gz NIJICMNNVCFERP-IBGZPJMESA-N 1 0 308.425 2.677 20 70 DFIDRO CC(C)[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)[NH+](C)C ZINC000159905017 273542608 /nfs/dbraw/zinc/54/26/08/273542608.db2.gz PSBJPSODEYEIMV-HOCLYGCPSA-N 1 0 304.434 2.991 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc3c(s1)CCC3)CC2 ZINC000160449570 274854138 /nfs/dbraw/zinc/85/41/38/274854138.db2.gz MZXRDXZGWFLDDY-GXFFZTMASA-N 1 0 302.447 2.802 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCc3c2cccc3F)CC1 ZINC000159744802 276162028 /nfs/dbraw/zinc/16/20/28/276162028.db2.gz SIEDDCJBCOWJDJ-MRXNPFEDSA-N 1 0 305.397 2.550 20 70 DFIDRO CCOCC[N@@H+]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1CC ZINC000159929605 276322182 /nfs/dbraw/zinc/32/21/82/276322182.db2.gz PFTOLGKPUIGMEM-LJQANCHMSA-N 1 0 318.436 2.610 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)COc1cc(C)ccc1C(C)C ZINC000161213424 277032183 /nfs/dbraw/zinc/03/21/83/277032183.db2.gz PDQKFKWMARRMCE-OAHLLOKOSA-N 1 0 304.434 2.708 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000161244668 278585607 /nfs/dbraw/zinc/58/56/07/278585607.db2.gz SAGMTZSGRXDWQK-LBPRGKRZSA-N 1 0 312.841 2.989 20 70 DFIDRO C[C@H]1CCC[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)C1 ZINC000160789949 290489211 /nfs/dbraw/zinc/48/92/11/290489211.db2.gz IEXBMLBRBCAYTL-GJZGRUSLSA-N 1 0 316.449 2.598 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](Cc1ccc(F)cc1)C(C)C)CC2 ZINC000160449019 293554819 /nfs/dbraw/zinc/55/48/19/293554819.db2.gz DOOBSHBTTAGUJS-SJORKVTESA-N 1 0 316.424 2.897 20 70 DFIDRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C[C@H](C)O1 ZINC000159424618 295376506 /nfs/dbraw/zinc/37/65/06/295376506.db2.gz FFPCFGZHHTTYBZ-CYGHRXIMSA-N 1 0 322.493 2.818 20 70 DFIDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1C ZINC000159409537 295376603 /nfs/dbraw/zinc/37/66/03/295376603.db2.gz BIEXEKBJNOTLOX-KRWDZBQOSA-N 1 0 324.490 2.597 20 70 DFIDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCCC1=O ZINC000159521779 295377792 /nfs/dbraw/zinc/37/77/92/295377792.db2.gz WZNHSTJTYMNUIN-ZDUSSCGKSA-N 1 0 305.378 2.566 20 70 DFIDRO Cc1ccc([C@@H](CNC(=O)[C@H]2OCC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000159572125 295378711 /nfs/dbraw/zinc/37/87/11/295378711.db2.gz DJBOTEIJDCUDAD-NXHRZFHOSA-N 1 0 316.445 2.673 20 70 DFIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000159613247 295379170 /nfs/dbraw/zinc/37/91/70/295379170.db2.gz OODZMNFODJBJCK-QWHCGFSZSA-N 1 0 322.453 2.569 20 70 DFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCC(c2ccccc2)=N1 ZINC000159626457 295379422 /nfs/dbraw/zinc/37/94/22/295379422.db2.gz PCHXCQVUJGAIHV-WMZOPIPTSA-N 1 0 311.429 2.888 20 70 DFIDRO CCC(CC)(C[NH2+]CC(=O)Nc1ccc(C)c(F)c1)C(=O)OC ZINC000159677134 295380223 /nfs/dbraw/zinc/38/02/23/295380223.db2.gz JFQICWIIGWCUHP-UHFFFAOYSA-N 1 0 324.396 2.642 20 70 DFIDRO COCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159731536 295381114 /nfs/dbraw/zinc/38/11/14/295381114.db2.gz JFGKMZUEKXNIPR-ROUUACIJSA-N 1 0 316.445 2.714 20 70 DFIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC000159770082 295381539 /nfs/dbraw/zinc/38/15/39/295381539.db2.gz FBZVCYJJFKACEM-HNNXBMFYSA-N 1 0 313.401 2.946 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N1CCC[C@H](C)C1 ZINC000159876840 295383119 /nfs/dbraw/zinc/38/31/19/295383119.db2.gz SWFIFJQVBKPJRH-AWEZNQCLSA-N 1 0 309.479 2.655 20 70 DFIDRO CC[NH+](CC)CCN(CCOC)c1nc(C(C)(C)C)ns1 ZINC000159879711 295382980 /nfs/dbraw/zinc/38/29/80/295382980.db2.gz IWGBRWKLXFBJIP-UHFFFAOYSA-N 1 0 314.499 2.630 20 70 DFIDRO COc1ccc(C[N@H+](C)Cc2cnc3nc(C)cc(C)n23)cc1 ZINC000159860851 295382992 /nfs/dbraw/zinc/38/29/92/295382992.db2.gz RFWRZKOLKMVDOU-UHFFFAOYSA-N 1 0 310.401 2.987 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NC1CCCCC1 ZINC000159866765 295383227 /nfs/dbraw/zinc/38/32/27/295383227.db2.gz WARGSIGZIYOUOX-UHFFFAOYSA-N 1 0 309.479 2.845 20 70 DFIDRO Cc1nc(CN2CCC[N@H+](Cc3ccc(C)cn3)CC2)cs1 ZINC000159952607 295384071 /nfs/dbraw/zinc/38/40/71/295384071.db2.gz KNYVALBQYLSTMT-UHFFFAOYSA-N 1 0 316.474 2.863 20 70 DFIDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000159956834 295384752 /nfs/dbraw/zinc/38/47/52/295384752.db2.gz ACFPNZXZUXGWNM-ZIAGYGMSSA-N 1 0 312.454 2.933 20 70 DFIDRO C[NH+](C)C[C@H]1CN(Cc2ncc(-c3ccccc3)s2)CCO1 ZINC000160014167 295385338 /nfs/dbraw/zinc/38/53/38/295385338.db2.gz ZCWYMKCDCLHKIX-HNNXBMFYSA-N 1 0 317.458 2.573 20 70 DFIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000160030495 295385666 /nfs/dbraw/zinc/38/56/66/295385666.db2.gz QUFQJEGMDCQMJK-FZMZJTMJSA-N 1 0 324.469 2.670 20 70 DFIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCOc1ccc(F)cc1F ZINC000160090712 295386333 /nfs/dbraw/zinc/38/63/33/295386333.db2.gz LOZCSNOJTZATEC-LBPRGKRZSA-N 1 0 314.376 2.580 20 70 DFIDRO COc1cc([C@H](C)[NH2+]Cc2cn(C)nc2C)cc(OC)c1OC ZINC000160121277 295386942 /nfs/dbraw/zinc/38/69/42/295386942.db2.gz LFPPJEDTTRVGPB-NSHDSACASA-N 1 0 319.405 2.605 20 70 DFIDRO CN(C(=O)c1cccc(-n2ccnc2)c1)c1ccc2c(c1)OCO2 ZINC000160135804 295387020 /nfs/dbraw/zinc/38/70/20/295387020.db2.gz GHYQBUAHFYEJDC-UHFFFAOYSA-N 1 0 321.336 2.878 20 70 DFIDRO O=C(Oc1ccccc1)N1CCC[N@H+](CCOCC2CC2)CC1 ZINC000160204198 295387906 /nfs/dbraw/zinc/38/79/06/295387906.db2.gz BWMIIDIWBLMJBI-UHFFFAOYSA-N 1 0 318.417 2.620 20 70 DFIDRO Cc1cccc2[nH]c(CNC(=O)CN(C)Cc3ccccc3)nc21 ZINC000160338735 295389917 /nfs/dbraw/zinc/38/99/17/295389917.db2.gz OIKVQRIKQWEZGO-UHFFFAOYSA-N 1 0 322.412 2.620 20 70 DFIDRO C[C@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)C1CCOCC1 ZINC000160369549 295390310 /nfs/dbraw/zinc/39/03/10/295390310.db2.gz BZOSHPIYXCKGMD-GUYCJALGSA-N 1 0 322.424 2.607 20 70 DFIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000160416049 295390566 /nfs/dbraw/zinc/39/05/66/295390566.db2.gz VQCIDCFLAMKIPS-WBVHZDCISA-N 1 0 311.514 2.734 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)OCc1ccccc1 ZINC000160425869 295391043 /nfs/dbraw/zinc/39/10/43/295391043.db2.gz KBOWZHWRMMQAHL-SJLPKXTDSA-N 1 0 318.461 2.828 20 70 DFIDRO C[N@H+](CC(=O)N[C@@H]1CCCc2sccc21)[C@@H]1CCSC1 ZINC000160451346 295391789 /nfs/dbraw/zinc/39/17/89/295391789.db2.gz JDAVNUMKTPTWPR-DGCLKSJQSA-N 1 0 310.488 2.679 20 70 DFIDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160485209 295391908 /nfs/dbraw/zinc/39/19/08/295391908.db2.gz FFJNONCOWVHFRR-NJAFHUGGSA-N 1 0 309.425 2.914 20 70 DFIDRO CC(C)COC(=O)N1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000160547366 295392437 /nfs/dbraw/zinc/39/24/37/295392437.db2.gz NTVFIBAVUUDXBR-OAHLLOKOSA-N 1 0 312.454 2.791 20 70 DFIDRO COc1ccc(F)cc1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160534739 295392565 /nfs/dbraw/zinc/39/25/65/295392565.db2.gz VWQNKEWFEYXHLM-CQSZACIVSA-N 1 0 308.397 2.685 20 70 DFIDRO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)O ZINC000160594168 295393379 /nfs/dbraw/zinc/39/33/79/295393379.db2.gz GMVVGQJENJTESG-SNVBAGLBSA-N 1 0 318.339 2.783 20 70 DFIDRO CC[C@H](O)CC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000160604015 295393419 /nfs/dbraw/zinc/39/34/19/295393419.db2.gz VDDVOTLILGACTI-ILXRZTDVSA-N 1 0 314.470 2.915 20 70 DFIDRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC(C)(C)O ZINC000160660378 295394290 /nfs/dbraw/zinc/39/42/90/295394290.db2.gz SLMLJEBSAYMTCZ-VIFPVBQESA-N 1 0 304.203 2.880 20 70 DFIDRO Cn1cnnc1CN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000160808385 295395610 /nfs/dbraw/zinc/39/56/10/295395610.db2.gz SLHLESHFIXHEON-UHFFFAOYSA-N 1 0 310.323 2.999 20 70 DFIDRO Cc1cnn(-c2ccc(NC(=O)CC[NH2+]C(C)C)cc2F)c1 ZINC000161233042 295400581 /nfs/dbraw/zinc/40/05/81/295400581.db2.gz JYXVTJLGXIZQGK-UHFFFAOYSA-N 1 0 304.369 2.646 20 70 DFIDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)NCCOc1cccc(C)c1 ZINC000218682182 337087216 /nfs/dbraw/zinc/08/72/16/337087216.db2.gz RYUCXDXQMBAICU-INIZCTEOSA-N 1 0 304.434 2.777 20 70 DFIDRO CN(CC[NH+]1CCCC1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000160693372 338562378 /nfs/dbraw/zinc/56/23/78/338562378.db2.gz FJAVUYWLFOYLLG-QGZVFWFLSA-N 1 0 314.433 2.769 20 70 DFIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000160986307 519708742 /nfs/dbraw/zinc/70/87/42/519708742.db2.gz UEDUYLJVRKMQHS-HNNXBMFYSA-N 1 0 303.450 2.852 20 70 DFIDRO CC(C)[C@H](O)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000160811843 519822704 /nfs/dbraw/zinc/82/27/04/519822704.db2.gz PQEHOUBPWXNWSM-CPUCHLNUSA-N 1 0 324.490 2.654 20 70 DFIDRO CCC1(CO)CC[NH+](CCN(C)Cc2ccc(F)cc2)CC1 ZINC000161305040 519843891 /nfs/dbraw/zinc/84/38/91/519843891.db2.gz PLESLTCDCUYIQE-UHFFFAOYSA-N 1 0 308.441 2.742 20 70 DFIDRO CC[N@H+](CCOCC1CC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000160468028 521141620 /nfs/dbraw/zinc/14/16/20/521141620.db2.gz MHTWTVBTIQISQW-UHFFFAOYSA-N 1 0 304.434 2.637 20 70 DFIDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160415012 521820253 /nfs/dbraw/zinc/82/02/53/521820253.db2.gz RXMSWDTXPPKIII-LSDHHAIUSA-N 1 0 324.490 2.995 20 70 DFIDRO CN(CC1CCCCC1)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160481615 522649058 /nfs/dbraw/zinc/64/90/58/522649058.db2.gz UMRHGUXEDXBLJV-IEBWSBKVSA-N 1 0 322.493 2.652 20 70 DFIDRO COc1cc(O)c(C[N@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1OC ZINC000160284534 522774482 /nfs/dbraw/zinc/77/44/82/522774482.db2.gz KPGUFPXTCAWJBU-VUCTXSBTSA-N 1 0 321.417 2.655 20 70 DFIDRO C[C@@H]1CCO[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000159973953 524544409 /nfs/dbraw/zinc/54/44/09/524544409.db2.gz FTHGUUOVPMEDIE-BRWVUGGUSA-N 1 0 308.466 2.526 20 70 DFIDRO COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000159986371 525258878 /nfs/dbraw/zinc/25/88/78/525258878.db2.gz XVTABDXOFNHQQF-BMFZPTHFSA-N 1 0 302.418 2.542 20 70 DFIDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2C#N)C1)C1CCOCC1 ZINC000159518930 525553989 /nfs/dbraw/zinc/55/39/89/525553989.db2.gz AIPMAHQOPAXMKI-MAUKXSAKSA-N 1 0 313.445 2.932 20 70 DFIDRO NC(=O)CC1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000159731551 526861831 /nfs/dbraw/zinc/86/18/31/526861831.db2.gz AZSPKFGKDMMZPF-UHFFFAOYSA-N 1 0 315.461 2.764 20 70 DFIDRO OCc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000160189946 527632428 /nfs/dbraw/zinc/63/24/28/527632428.db2.gz XDSMTVNCPWJXSZ-HNNXBMFYSA-N 1 0 317.385 2.659 20 70 DFIDRO O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160463403 527675887 /nfs/dbraw/zinc/67/58/87/527675887.db2.gz AIUPQVNTZTUSLQ-DLBZAZTESA-N 1 0 323.481 2.556 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CSCCc3ccccc31)CC2 ZINC000160519361 282127986 /nfs/dbraw/zinc/12/79/86/282127986.db2.gz HUIISCNEXTVNCF-ZBFHGGJFSA-N 1 0 314.458 2.522 20 70 DFIDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000159532538 186125737 /nfs/dbraw/zinc/12/57/37/186125737.db2.gz QCZBAVKEDFCJDY-JENIJYKNSA-N 1 0 316.445 2.579 20 70 DFIDRO c1nn(-c2ccccc2)cc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159549841 186126405 /nfs/dbraw/zinc/12/64/05/186126405.db2.gz KRIQRBATXYPSKJ-BZSNNMDCSA-N 1 0 309.413 2.920 20 70 DFIDRO COc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000159589051 186128966 /nfs/dbraw/zinc/12/89/66/186128966.db2.gz BVRYZDPIBVEMKC-KCXAZCMYSA-N 1 0 318.373 2.651 20 70 DFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cc(C)cc(OC)c1 ZINC000159598290 186130031 /nfs/dbraw/zinc/13/00/31/186130031.db2.gz YOMCGBSWEJNMHB-AWEZNQCLSA-N 1 0 307.438 2.533 20 70 DFIDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H](O)c2ccccc2)C1 ZINC000159649877 186132951 /nfs/dbraw/zinc/13/29/51/186132951.db2.gz XRIMUGMPCATMEW-BQFCYCMXSA-N 1 0 318.461 2.594 20 70 DFIDRO COc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c(OC)c1 ZINC000159656401 186133568 /nfs/dbraw/zinc/13/35/68/186133568.db2.gz IQTXQCLJOSGGPD-PVAVHDDUSA-N 1 0 303.402 2.751 20 70 DFIDRO C[C@H](c1ccc(F)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159690255 186135690 /nfs/dbraw/zinc/13/56/90/186135690.db2.gz RSVMPBBCMCOARO-GFCCVEGCSA-N 1 0 319.336 2.589 20 70 DFIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000159696735 186136453 /nfs/dbraw/zinc/13/64/53/186136453.db2.gz VFEFWCFYTYCYIW-MRXNPFEDSA-N 1 0 312.417 2.572 20 70 DFIDRO CC(C)N(CC[NH+](C)C)C(=O)NCc1nc(C2CC2)cs1 ZINC000159732983 186137861 /nfs/dbraw/zinc/13/78/61/186137861.db2.gz CYLGVBBAYDDSLY-UHFFFAOYSA-N 1 0 310.467 2.502 20 70 DFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NC(=O)Nc1ccccc1 ZINC000159604373 398964626 /nfs/dbraw/zinc/96/46/26/398964626.db2.gz HSSSXQVJCXSOBG-ZFWWWQNUSA-N 1 0 301.390 2.599 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)cc1 ZINC000159500410 398964842 /nfs/dbraw/zinc/96/48/42/398964842.db2.gz NDMSHMLEBZIISU-SWLSCSKDSA-N 1 0 313.463 2.538 20 70 DFIDRO COc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159684856 398966105 /nfs/dbraw/zinc/96/61/05/398966105.db2.gz AFLHFOKRRNRVSO-HOCLYGCPSA-N 1 0 302.418 2.576 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)cc1 ZINC000159500130 398965121 /nfs/dbraw/zinc/96/51/21/398965121.db2.gz NDMSHMLEBZIISU-WFASDCNBSA-N 1 0 313.463 2.538 20 70 DFIDRO COCc1cc(C[NH2+]C2CCC3(CC2)OCCO3)ccc1F ZINC000161029212 197458662 /nfs/dbraw/zinc/45/86/62/197458662.db2.gz UPEDYUCPSXMQTC-UHFFFAOYSA-N 1 0 309.381 2.747 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@H](OCC)c2ccccc2)CC1 ZINC000161001526 197456366 /nfs/dbraw/zinc/45/63/66/197456366.db2.gz ITWSFUYGOVKDIP-QGZVFWFLSA-N 1 0 304.434 2.612 20 70 DFIDRO COc1ncc(C)cc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160740640 197435345 /nfs/dbraw/zinc/43/53/45/197435345.db2.gz PKORWOALLYNTDQ-UHFFFAOYSA-N 1 0 320.437 2.641 20 70 DFIDRO CCC(CC)(CO)CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000160649765 197428515 /nfs/dbraw/zinc/42/85/15/197428515.db2.gz JASSCZOKBZCPQC-UHFFFAOYSA-N 1 0 307.438 2.668 20 70 DFIDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160554476 197421495 /nfs/dbraw/zinc/42/14/95/197421495.db2.gz DKYKXHQJLWACMU-IUODEOHRSA-N 1 0 300.406 2.651 20 70 DFIDRO COC1(C(=O)Nc2ccc(OCCC(C)C)cc2)CC[NH2+]CC1 ZINC000160307271 197399492 /nfs/dbraw/zinc/39/94/92/197399492.db2.gz FBLKGPVAKZRSDN-UHFFFAOYSA-N 1 0 320.433 2.819 20 70 DFIDRO Fc1cc(F)cc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000160277176 197397504 /nfs/dbraw/zinc/39/75/04/197397504.db2.gz NIWBQVNPYCWDIN-SNVBAGLBSA-N 1 0 308.294 2.939 20 70 DFIDRO CCCCCCOc1ccc(CC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160211809 197393285 /nfs/dbraw/zinc/39/32/85/197393285.db2.gz DXOXJEGTDBHTNW-MRXNPFEDSA-N 1 0 304.434 2.748 20 70 DFIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cnc(C)nc2C)c1 ZINC000160175232 197391665 /nfs/dbraw/zinc/39/16/65/197391665.db2.gz QPVXNNCFNBYRJL-GFCCVEGCSA-N 1 0 312.417 2.694 20 70 DFIDRO CC[N@H+](C)CCNC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000160149868 197389555 /nfs/dbraw/zinc/38/95/55/197389555.db2.gz QTDXAXUBBFPHCT-GFCCVEGCSA-N 1 0 316.367 2.952 20 70 DFIDRO COc1cccc(Cl)c1CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000160138517 197389249 /nfs/dbraw/zinc/38/92/49/197389249.db2.gz MYMVMTJDFMYUTM-OLZOCXBDSA-N 1 0 324.852 2.832 20 70 DFIDRO CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160231957 197394019 /nfs/dbraw/zinc/39/40/19/197394019.db2.gz QGMZAIXAXWHHNU-MRXNPFEDSA-N 1 0 323.412 2.837 20 70 DFIDRO CC(C)[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000160051583 197382517 /nfs/dbraw/zinc/38/25/17/197382517.db2.gz HVIQDDQIEFGAKS-KBPBESRZSA-N 1 0 308.372 2.621 20 70 DFIDRO CC[C@@H](CC(=O)NC[C@H]1CC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000160108444 197386618 /nfs/dbraw/zinc/38/66/18/197386618.db2.gz RYYILIZDGQRPHN-CABCVRRESA-N 1 0 304.434 2.647 20 70 DFIDRO O=C(NCCOC1CCCCCC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000160087711 197384698 /nfs/dbraw/zinc/38/46/98/197384698.db2.gz GQFREEDKRDQWPV-GOSISDBHSA-N 1 0 316.445 2.557 20 70 DFIDRO CC(C)([NH3+])CNC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000160084429 197384389 /nfs/dbraw/zinc/38/43/89/197384389.db2.gz KTOBEOMBQNQYQG-UHFFFAOYSA-N 1 0 317.433 2.673 20 70 DFIDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1ccc(F)cc1F ZINC000160004484 197379520 /nfs/dbraw/zinc/37/95/20/197379520.db2.gz GWCJIYOWJRNKPX-OAHLLOKOSA-N 1 0 310.388 2.840 20 70 DFIDRO CN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000160000593 197378520 /nfs/dbraw/zinc/37/85/20/197378520.db2.gz ZVXZQHJXHHGGLS-ZDUSSCGKSA-N 1 0 316.232 2.601 20 70 DFIDRO C[C@](O)(C[NH2+]C1CCN(CC(F)(F)F)CC1)c1ccsc1 ZINC000159909405 197372777 /nfs/dbraw/zinc/37/27/77/197372777.db2.gz DOPKFCBOBHRTSJ-ZDUSSCGKSA-N 1 0 322.396 2.572 20 70 DFIDRO CCc1nc([C@H](C)NC(=O)N2CCC[N@@H+](CC)CC2)cs1 ZINC000159849171 197368945 /nfs/dbraw/zinc/36/89/45/197368945.db2.gz PSMANIMOJXAVFP-LBPRGKRZSA-N 1 0 310.467 2.504 20 70 DFIDRO OC[C@H]1CCCC[N@@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000159825084 197367661 /nfs/dbraw/zinc/36/76/61/197367661.db2.gz OUSOFIBUSWQEJD-MRXNPFEDSA-N 1 0 311.429 2.708 20 70 DFIDRO C[C@@H](C(=O)NC1CCCC1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159814155 197366310 /nfs/dbraw/zinc/36/63/10/197366310.db2.gz KGWTXERZJWTRKB-AWEZNQCLSA-N 1 0 303.450 2.632 20 70 DFIDRO CCOc1cccc([C@@H](C)NC(=O)N2CCC[N@H+](CC)CC2)c1 ZINC000159777632 197363849 /nfs/dbraw/zinc/36/38/49/197363849.db2.gz CSSHTXKHVYAOOD-OAHLLOKOSA-N 1 0 319.449 2.884 20 70 DFIDRO CCC[C@H](C(=O)Nc1nc(CN2CCCCC2)cs1)[NH+](C)C ZINC000159493484 197357635 /nfs/dbraw/zinc/35/76/35/197357635.db2.gz VNNXLVZEPIOSQX-CQSZACIVSA-N 1 0 324.494 2.798 20 70 DFIDRO [NH3+]C1(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CCCCC1 ZINC000159768023 197362671 /nfs/dbraw/zinc/36/26/71/197362671.db2.gz WEGZBAIDMKKAFA-OLZOCXBDSA-N 1 0 308.372 2.846 20 70 DFIDRO c1cc2c(cc1C[NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCC3)OCCO2 ZINC000159509801 197360312 /nfs/dbraw/zinc/36/03/12/197360312.db2.gz SBTIORYBPKCYHH-XYPHTWIQSA-N 1 0 301.386 2.505 20 70 DFIDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@H](C)[NH3+] ZINC000159455930 197354972 /nfs/dbraw/zinc/35/49/72/197354972.db2.gz ADIWSSFZJNTTQF-WDEREUQCSA-N 1 0 303.431 2.951 20 70 DFIDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000159410759 197351581 /nfs/dbraw/zinc/35/15/81/197351581.db2.gz YEIWGBKXGCEIBG-CQSZACIVSA-N 1 0 323.400 2.912 20 70 DFIDRO COc1cc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc(OC)c1 ZINC000159666725 542718832 /nfs/dbraw/zinc/71/88/32/542718832.db2.gz JIAGRMBYKFGMHJ-GUYCJALGSA-N 1 0 318.417 2.907 20 70 DFIDRO O=C(NC[C@@H]1C[C@H]1c1ccccc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000159789725 542719409 /nfs/dbraw/zinc/71/94/09/542719409.db2.gz OOTLJISFBUVKJP-FHWLQOOXSA-N 1 0 306.409 2.621 20 70 DFIDRO CC[C@@H]1c2ccccc2CCN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000160049470 542721035 /nfs/dbraw/zinc/72/10/35/542721035.db2.gz KWSAXXOADBJTKJ-NVXWUHKLSA-N 1 0 318.486 2.960 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(Br)ccc2F)C1 ZINC000161360978 542728817 /nfs/dbraw/zinc/72/88/17/542728817.db2.gz BKFVTNZTNDXRCU-UWVGGRQHSA-N 1 0 315.186 2.588 20 70 DFIDRO Cc1ccc(NC(=O)N2CCN(Cc3cccs3)CC2)cn1 ZINC000161407962 542729451 /nfs/dbraw/zinc/72/94/51/542729451.db2.gz BJXXVZIENBMRCV-UHFFFAOYSA-N 1 0 316.430 2.801 20 70 DFIDRO CCC[C@H](C(=O)Nc1cccc(Cn2cccn2)c1)[NH+](C)C ZINC000161509564 542730309 /nfs/dbraw/zinc/73/03/09/542730309.db2.gz XYOAFUFVPVKDKW-MRXNPFEDSA-N 1 0 300.406 2.600 20 70 DFIDRO Cc1ccc(OCCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000160790374 542724425 /nfs/dbraw/zinc/72/44/25/542724425.db2.gz GQJDJQKFDREIPS-CVEARBPZSA-N 1 0 304.434 2.849 20 70 DFIDRO Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160867283 542725143 /nfs/dbraw/zinc/72/51/43/542725143.db2.gz HMTHIXQVXZNDLY-AGIUHOORSA-N 1 0 310.825 2.802 20 70 DFIDRO Cc1c(Br)cccc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160891150 542725716 /nfs/dbraw/zinc/72/57/16/542725716.db2.gz GEKPNZLZKZSRNR-MNOVXSKESA-N 1 0 311.223 2.757 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000159451384 286018047 /nfs/dbraw/zinc/01/80/47/286018047.db2.gz JBLDMXWNOOBQAF-DFBGVHRSSA-N 1 0 310.825 2.674 20 70 DFIDRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCN1CCCC1=O ZINC000159491710 292336623 /nfs/dbraw/zinc/33/66/23/292336623.db2.gz FEBUSIHSVBSKBY-INIZCTEOSA-N 1 0 302.418 2.811 20 70 DFIDRO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc2c(c1)CCO2 ZINC000159515566 286906539 /nfs/dbraw/zinc/90/65/39/286906539.db2.gz YXCUSZCDLXDUNM-MRXNPFEDSA-N 1 0 302.418 2.675 20 70 DFIDRO CCC(CC)(C[NH2+]Cc1cncnc1)NC(=O)OC(C)(C)C ZINC000217698178 268138579 /nfs/dbraw/zinc/13/85/79/268138579.db2.gz UYTLESBFPMBBOE-UHFFFAOYSA-N 1 0 308.426 2.650 20 70 DFIDRO CCn1ccnc1C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000218213781 268139742 /nfs/dbraw/zinc/13/97/42/268139742.db2.gz MJHHMHPXGBRIKS-UHFFFAOYSA-N 1 0 322.453 2.640 20 70 DFIDRO CCn1ccnc1C[NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000217807146 268139883 /nfs/dbraw/zinc/13/98/83/268139883.db2.gz YIXSNDUJTSMGDB-AWEZNQCLSA-N 1 0 322.453 2.782 20 70 DFIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1c(F)cc(F)cc1F ZINC000160361213 425980397 /nfs/dbraw/zinc/98/03/97/425980397.db2.gz WEXVVNIUVHMLFN-SNVBAGLBSA-N 1 0 300.324 2.708 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000160415538 425981347 /nfs/dbraw/zinc/98/13/47/425981347.db2.gz HSWCZUYQVGSWTO-UHFFFAOYSA-N 1 0 314.433 2.736 20 70 DFIDRO Cc1cccc(-c2cncc(C(=O)NC3CC[NH+](C)CC3)c2)c1 ZINC000160420458 425981976 /nfs/dbraw/zinc/98/19/76/425981976.db2.gz OZEUQAPTKVXNKW-UHFFFAOYSA-N 1 0 309.413 2.881 20 70 DFIDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160423560 425982092 /nfs/dbraw/zinc/98/20/92/425982092.db2.gz WYQHQRLCQKZOPS-OCCSQVGLSA-N 1 0 300.406 2.569 20 70 DFIDRO CC(C)(C)c1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160461505 425982996 /nfs/dbraw/zinc/98/29/96/425982996.db2.gz VQAJHTQSFXBQKB-OAHLLOKOSA-N 1 0 318.461 2.561 20 70 DFIDRO C[C@H](CCC(=O)NCCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000160434382 425983058 /nfs/dbraw/zinc/98/30/58/425983058.db2.gz YUABCNHWMRMMKF-MRXNPFEDSA-N 1 0 318.461 2.533 20 70 DFIDRO CCOC[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000160497351 425983642 /nfs/dbraw/zinc/98/36/42/425983642.db2.gz CWWJJKDMXKHJNN-WMLDXEAASA-N 1 0 320.408 2.680 20 70 DFIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2nc3ccccc3o2)C[C@@H](C)O1 ZINC000160490352 425984257 /nfs/dbraw/zinc/98/42/57/425984257.db2.gz AWTBZKILSLLUJJ-KFWWJZLASA-N 1 0 315.417 2.906 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000160504047 425985646 /nfs/dbraw/zinc/98/56/46/425985646.db2.gz RUVOHZXHOXUWFM-MCIONIFRSA-N 1 0 313.228 2.917 20 70 DFIDRO CC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000160551974 425986261 /nfs/dbraw/zinc/98/62/61/425986261.db2.gz BONFGTCFQUTGGR-GOEBONIOSA-N 1 0 322.399 2.916 20 70 DFIDRO CCc1ccc([C@@H](CC)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160564062 425987440 /nfs/dbraw/zinc/98/74/40/425987440.db2.gz LRVQWQGTTSBKCA-CYBMUJFWSA-N 1 0 302.340 2.968 20 70 DFIDRO O=C(NCC[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000160569134 425987557 /nfs/dbraw/zinc/98/75/57/425987557.db2.gz NTXHINVBIMCARE-UONOGXRCSA-N 1 0 308.372 2.670 20 70 DFIDRO O=C(NCC[NH+]1CCCCC1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160569780 425987594 /nfs/dbraw/zinc/98/75/94/425987594.db2.gz HWDAYGUKLFTVBE-HIFRSBDPSA-N 1 0 308.372 2.670 20 70 DFIDRO C[C@H](CC(=O)NCC[NH+](C)C)c1ccc(Br)cc1 ZINC000160559146 425987845 /nfs/dbraw/zinc/98/78/45/425987845.db2.gz MSGBTVUNWCYQID-LLVKDONJSA-N 1 0 313.239 2.621 20 70 DFIDRO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000160599856 425988391 /nfs/dbraw/zinc/98/83/91/425988391.db2.gz UPZSKGDNTBPFQY-IAGOWNOFSA-N 1 0 314.433 2.767 20 70 DFIDRO CC(=O)Nc1ccccc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000160587134 425988541 /nfs/dbraw/zinc/98/85/41/425988541.db2.gz WXESHWUHMHNHDX-RDJZCZTQSA-N 1 0 320.458 2.789 20 70 DFIDRO CCCc1cc(N2CCS(=O)(=O)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000160718826 425993656 /nfs/dbraw/zinc/99/36/56/425993656.db2.gz AODIKBPSWKVZSR-ZDUSSCGKSA-N 1 0 318.442 2.811 20 70 DFIDRO C[C@]1(CNc2ccc(C#N)nn2)CCC[N@@H+]1Cc1ccccc1 ZINC000160803619 425996856 /nfs/dbraw/zinc/99/68/56/425996856.db2.gz FDLCPNHMWUXFDX-GOSISDBHSA-N 1 0 307.401 2.815 20 70 DFIDRO CC[NH+](CC)CCCNC(=O)NC1(c2cccc(F)c2)CC1 ZINC000160871876 425999079 /nfs/dbraw/zinc/99/90/79/425999079.db2.gz DGXKLGHALBYCDI-UHFFFAOYSA-N 1 0 307.413 2.846 20 70 DFIDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160895184 426000931 /nfs/dbraw/zinc/00/09/31/426000931.db2.gz NEYUUDZKEHRSMM-HOCLYGCPSA-N 1 0 310.482 2.506 20 70 DFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1ccccn1 ZINC000160926565 426001270 /nfs/dbraw/zinc/00/12/70/426001270.db2.gz RNTNOWHGVIICHR-QGZVFWFLSA-N 1 0 318.465 2.734 20 70 DFIDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160930382 426001709 /nfs/dbraw/zinc/00/17/09/426001709.db2.gz NWGYDUNJCDLYRP-DODZYUBVSA-N 1 0 322.493 2.793 20 70 DFIDRO Cc1cc(C#N)ccc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000160962265 426002864 /nfs/dbraw/zinc/00/28/64/426002864.db2.gz ZBNMERKROCCOFM-UHFFFAOYSA-N 1 0 319.408 2.655 20 70 DFIDRO C[C@H](CCn1cccn1)[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC000159361082 425959324 /nfs/dbraw/zinc/95/93/24/425959324.db2.gz BRTCGLYHRHYZDL-HZPDHXFCSA-N 1 0 307.438 2.717 20 70 DFIDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccn1 ZINC000159380981 425959674 /nfs/dbraw/zinc/95/96/74/425959674.db2.gz QAMKHPJSIBQMIF-GOEBONIOSA-N 1 0 301.434 2.913 20 70 DFIDRO C[C@H]1C[N@H+](CCOc2ccc(Br)cc2)CC[C@@H]1O ZINC000159441287 425960118 /nfs/dbraw/zinc/96/01/18/425960118.db2.gz VOFPBFXPSORQKD-FZMZJTMJSA-N 1 0 314.223 2.531 20 70 DFIDRO COCCOc1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159553071 425962754 /nfs/dbraw/zinc/96/27/54/425962754.db2.gz SDAGTUXACSCHAJ-BZSNNMDCSA-N 1 0 317.429 2.759 20 70 DFIDRO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159616034 425963928 /nfs/dbraw/zinc/96/39/28/425963928.db2.gz SYSZCIUPEHPDCT-JOYOIKCWSA-N 1 0 322.796 2.695 20 70 DFIDRO CC[C@@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000159616874 425963977 /nfs/dbraw/zinc/96/39/77/425963977.db2.gz XBQHPMVVKSKWGH-GOEBONIOSA-N 1 0 310.482 2.770 20 70 DFIDRO C[N@@H+](Cc1ccnc(-c2ccc(F)cc2)n1)C[C@H]1CCC[C@@H]1O ZINC000159625257 425964809 /nfs/dbraw/zinc/96/48/09/425964809.db2.gz YGENYFWEPNKEMX-PBHICJAKSA-N 1 0 315.392 2.876 20 70 DFIDRO Cc1cncc(/C=C/C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000159703893 425965479 /nfs/dbraw/zinc/96/54/79/425965479.db2.gz WPONYATYMRRRKF-QZEKMECESA-N 1 0 309.413 2.822 20 70 DFIDRO Fc1cc(F)c2nccc(N3CC[C@H]([NH+]4CC=CC4)C3)c2c1 ZINC000159661468 425965564 /nfs/dbraw/zinc/96/55/64/425965564.db2.gz MVFHRPDIQBPWHX-ZDUSSCGKSA-N 1 0 301.340 2.964 20 70 DFIDRO Fc1cc(F)c2nccc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2c1 ZINC000159661615 425965792 /nfs/dbraw/zinc/96/57/92/425965792.db2.gz MVFHRPDIQBPWHX-CYBMUJFWSA-N 1 0 301.340 2.964 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(C)cc2C)CC1 ZINC000159763241 425967972 /nfs/dbraw/zinc/96/79/72/425967972.db2.gz GIGWZSAPAQCUEH-UHFFFAOYSA-N 1 0 303.450 2.583 20 70 DFIDRO COc1ccc(C#N)cc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000159980122 425971290 /nfs/dbraw/zinc/97/12/90/425971290.db2.gz QGQZWBYKJUOTAX-UHFFFAOYSA-N 1 0 310.401 2.676 20 70 DFIDRO CCS[C@H]1CCCC[C@H]1NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159954599 425971539 /nfs/dbraw/zinc/97/15/39/425971539.db2.gz WJLAIFYYIAYTFG-CABCVRRESA-N 1 0 313.511 2.788 20 70 DFIDRO Cn1ccnc1CC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000159966942 425971545 /nfs/dbraw/zinc/97/15/45/425971545.db2.gz NOLGSJCNTMXAHJ-UHFFFAOYSA-N 1 0 311.404 2.865 20 70 DFIDRO CCOC[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160176635 425976205 /nfs/dbraw/zinc/97/62/05/425976205.db2.gz GXQRKUXHIVKLFN-ZFWWWQNUSA-N 1 0 305.397 2.681 20 70 DFIDRO CC1(C)CCC(CC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000160251904 425977576 /nfs/dbraw/zinc/97/75/76/425977576.db2.gz KKCKBPWJVCZMMW-UHFFFAOYSA-N 1 0 322.493 2.916 20 70 DFIDRO COc1cc(CCNC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)ccc1C ZINC000160317557 425979067 /nfs/dbraw/zinc/97/90/67/425979067.db2.gz WCDXZNXPNBVSRB-IXDOHACOSA-N 1 0 316.445 2.583 20 70 DFIDRO O=C(CC[NH+]1CCN(c2cccs2)CC1)Nc1ccccc1 ZINC000160324405 425979095 /nfs/dbraw/zinc/97/90/95/425979095.db2.gz XRKWJGJLPCGYSG-UHFFFAOYSA-N 1 0 315.442 2.899 20 70 DFIDRO Cc1nc(CC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c(C)s1 ZINC000160349360 425979614 /nfs/dbraw/zinc/97/96/14/425979614.db2.gz LCXSSVDNLDBZFH-SJKOYZFVSA-N 1 0 323.506 2.929 20 70 DFIDRO CO[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000161409292 426023061 /nfs/dbraw/zinc/02/30/61/426023061.db2.gz UPDLQFYPQLXJKO-AEGPPILISA-N 1 0 310.825 2.661 20 70 DFIDRO CCCOc1cccc(CC(=O)NC[C@@H](C)[NH+](CC)CC)c1 ZINC000161440765 426024445 /nfs/dbraw/zinc/02/44/45/426024445.db2.gz KFOJFIJIMHQRSY-OAHLLOKOSA-N 1 0 306.450 2.864 20 70 DFIDRO CC[C@H]1CN(CCC[NH+]2CCCCC2)CCN1CC(F)F ZINC000161463710 426025189 /nfs/dbraw/zinc/02/51/89/426025189.db2.gz JDVGTYROEXIBQK-HNNXBMFYSA-N 1 0 303.441 2.524 20 70 DFIDRO CC(C)[C@@H]([NH2+]CCn1ccnc1)c1ccc2c(c1)OCCO2 ZINC000161481557 426025465 /nfs/dbraw/zinc/02/54/65/426025465.db2.gz TVWJQNSBHIEZCO-QGZVFWFLSA-N 1 0 301.390 2.641 20 70 DFIDRO C[NH+](C)Cc1ccc(C(=O)Nc2cnn(C(C)(C)C)c2)cc1 ZINC000161481527 426025774 /nfs/dbraw/zinc/02/57/74/426025774.db2.gz AUQSBJQYGFIEBI-UHFFFAOYSA-N 1 0 300.406 2.952 20 70 DFIDRO COC(=O)c1cc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1C ZINC000161489948 426026577 /nfs/dbraw/zinc/02/65/77/426026577.db2.gz VFIYCDYXYXIUHL-UONOGXRCSA-N 1 0 318.417 2.746 20 70 DFIDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1(CCOC)CC1 ZINC000161495933 426026601 /nfs/dbraw/zinc/02/66/01/426026601.db2.gz GCCSMBIHDULEJO-UHFFFAOYSA-N 1 0 318.461 2.913 20 70 DFIDRO CC[C@@](C)(O)C[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000161054011 426006660 /nfs/dbraw/zinc/00/66/60/426006660.db2.gz NTCUJGYVQMWLAY-GDBMZVCRSA-N 1 0 310.825 2.538 20 70 DFIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1noc(C2CC2)n1 ZINC000161052826 426006702 /nfs/dbraw/zinc/00/67/02/426006702.db2.gz CLGISUKAPDCFLL-UHFFFAOYSA-N 1 0 314.433 2.947 20 70 DFIDRO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000161045244 426007089 /nfs/dbraw/zinc/00/70/89/426007089.db2.gz VZYGJKVCCQUTKH-AWEZNQCLSA-N 1 0 316.361 2.741 20 70 DFIDRO C[NH+]1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000161072561 426007438 /nfs/dbraw/zinc/00/74/38/426007438.db2.gz VCMPCWPIJGTNSD-UHFFFAOYSA-N 1 0 320.234 2.745 20 70 DFIDRO CC(C)[NH+](CCS[C@@H](C)c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000161079210 426008322 /nfs/dbraw/zinc/00/83/22/426008322.db2.gz MHJAFEAGDFQSHQ-NSHDSACASA-N 1 0 324.454 2.768 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000161129333 426009536 /nfs/dbraw/zinc/00/95/36/426009536.db2.gz TVVUYSQHKYERFL-OAHLLOKOSA-N 1 0 324.515 2.927 20 70 DFIDRO COC[C@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)C1CC1 ZINC000161140605 426009864 /nfs/dbraw/zinc/00/98/64/426009864.db2.gz IAIAPOJWWPIXKW-KDOFPFPSSA-N 1 0 324.415 2.944 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)NCCc1nc2ccccc2s1 ZINC000161168933 426011236 /nfs/dbraw/zinc/01/12/36/426011236.db2.gz YRROREMEOYAHHB-UHFFFAOYSA-N 1 0 305.447 2.720 20 70 DFIDRO Cc1ccccc1O[C@H](C)CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161172342 426011615 /nfs/dbraw/zinc/01/16/15/426011615.db2.gz LMNJFKGUSXFFFR-MGNMYUMUSA-N 1 0 316.445 2.799 20 70 DFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000161187630 426012737 /nfs/dbraw/zinc/01/27/37/426012737.db2.gz FRXICYBZVZARCD-GOEBONIOSA-N 1 0 304.434 2.983 20 70 DFIDRO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161179875 426012791 /nfs/dbraw/zinc/01/27/91/426012791.db2.gz TYWZVCTUICYLDE-FRQCXROJSA-N 1 0 316.445 2.665 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000161181964 426012956 /nfs/dbraw/zinc/01/29/56/426012956.db2.gz BCSQBCRDADIXBY-GFCCVEGCSA-N 1 0 317.433 2.514 20 70 DFIDRO C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)C[NH+]1CCCCC1 ZINC000161208359 426013720 /nfs/dbraw/zinc/01/37/20/426013720.db2.gz RXWLWTAJORGOAG-NSHDSACASA-N 1 0 314.351 2.956 20 70 DFIDRO CCn1cnnc1[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000161262679 426016514 /nfs/dbraw/zinc/01/65/14/426016514.db2.gz IIGZQNRQLVFODG-GFCCVEGCSA-N 1 0 321.406 2.647 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@H](C(C)C)N2CCC(C)CC2)CC1 ZINC000161280258 426016807 /nfs/dbraw/zinc/01/68/07/426016807.db2.gz IXYCAIPGTFUAAP-CTWPCTMYSA-N 1 0 323.525 2.780 20 70 DFIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000161333882 426019643 /nfs/dbraw/zinc/01/96/43/426019643.db2.gz HWKANBXJJOYESS-GLQYFDAESA-N 1 0 320.383 2.669 20 70 DFIDRO CCC[C@@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH+](C)C ZINC000161364181 426021566 /nfs/dbraw/zinc/02/15/66/426021566.db2.gz IEXGHXJXMFNRBO-HNNXBMFYSA-N 1 0 303.406 2.704 20 70 DFIDRO CCCN(C)c1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000161398267 426021628 /nfs/dbraw/zinc/02/16/28/426021628.db2.gz BBKHJHZCLQHHFA-MAUKXSAKSA-N 1 0 317.477 2.991 20 70 DFIDRO CCN(CC)[C@@H](C[NH2+]C1CCC(NC(C)=O)CC1)c1ccco1 ZINC000161381036 426022252 /nfs/dbraw/zinc/02/22/52/426022252.db2.gz DGTLGKHPODLNRG-JCYILVPMSA-N 1 0 321.465 2.699 20 70 DFIDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccn(C)n1 ZINC000218152678 426566042 /nfs/dbraw/zinc/56/60/42/426566042.db2.gz IUQKRZKWGXCOHV-LLVKDONJSA-N 1 0 308.223 2.903 20 70 DFIDRO COCCN(CC[NH2+]Cc1ccc(C)o1)C(=O)OC(C)(C)C ZINC000218136603 426566138 /nfs/dbraw/zinc/56/61/38/426566138.db2.gz WUEPIGHYLIKQAT-UHFFFAOYSA-N 1 0 312.410 2.561 20 70 DFIDRO COCCN(CC[NH2+]Cc1ccsc1)C(=O)OC(C)(C)C ZINC000218137227 426566741 /nfs/dbraw/zinc/56/67/41/426566741.db2.gz OOOKNZJRKJTPLV-UHFFFAOYSA-N 1 0 314.451 2.721 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCc3c2cccc3F)CC1 ZINC000159744931 276162292 /nfs/dbraw/zinc/16/22/92/276162292.db2.gz SIEDDCJBCOWJDJ-INIZCTEOSA-N 1 0 305.397 2.550 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000161364294 277028155 /nfs/dbraw/zinc/02/81/55/277028155.db2.gz DIJSIVIZMMJFRG-ZDUSSCGKSA-N 1 0 319.405 2.716 20 70 DFIDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000159605123 278036748 /nfs/dbraw/zinc/03/67/48/278036748.db2.gz KAXZVXFYBQVIQO-OCCSQVGLSA-N 1 0 319.405 2.804 20 70 DFIDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2N2CCOCC2)CCO1 ZINC000160482761 278369606 /nfs/dbraw/zinc/36/96/06/278369606.db2.gz NNURUMYDNDMFFR-INIZCTEOSA-N 1 0 304.434 2.570 20 70 DFIDRO C[C@@H]1SCCN(C(=O)C2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000161182711 279070641 /nfs/dbraw/zinc/07/06/41/279070641.db2.gz NMAOSICJJWLCEF-XJKSGUPXSA-N 1 0 304.459 2.691 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000159578760 279285722 /nfs/dbraw/zinc/28/57/22/279285722.db2.gz BZFKFABIICSKEJ-QWHCGFSZSA-N 1 0 321.387 2.845 20 70 DFIDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCOC1 ZINC000160137470 290007379 /nfs/dbraw/zinc/00/73/79/290007379.db2.gz UOACFXBFYYPYPH-CWRNSKLLSA-N 1 0 317.408 2.681 20 70 DFIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000160486772 297020290 /nfs/dbraw/zinc/02/02/90/297020290.db2.gz HAOYZLCZKIJVJV-KFWWJZLASA-N 1 0 319.405 2.673 20 70 DFIDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccn1 ZINC000159361018 295375792 /nfs/dbraw/zinc/37/57/92/295375792.db2.gz HIPDXQBKQFRQDG-FUHWJXTLSA-N 1 0 323.440 2.966 20 70 DFIDRO CC[C@@H]([NH2+]CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCOC1 ZINC000159497917 295377856 /nfs/dbraw/zinc/37/78/56/295377856.db2.gz GCBZEEWMVLCONY-UONOGXRCSA-N 1 0 300.443 2.648 20 70 DFIDRO CN(C)CC[NH+]1CCC(CNC(=O)C2CCC(C)(C)CC2)CC1 ZINC000159553965 295378211 /nfs/dbraw/zinc/37/82/11/295378211.db2.gz IBFOEXOLLKGOHY-UHFFFAOYSA-N 1 0 323.525 2.593 20 70 DFIDRO C[C@@H]1CC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H](C)O1 ZINC000159656119 295379811 /nfs/dbraw/zinc/37/98/11/295379811.db2.gz GUHQVCPLILDTRG-ZIAGYGMSSA-N 1 0 323.481 2.649 20 70 DFIDRO O=c1[nH]c2ccccc2cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159676437 295380231 /nfs/dbraw/zinc/38/02/31/295380231.db2.gz LDHZOPISOQHOER-UAGQMJEPSA-N 1 0 310.397 2.988 20 70 DFIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCc2cccc(F)c2C1 ZINC000159726042 295380612 /nfs/dbraw/zinc/38/06/12/295380612.db2.gz IIZORZHZIKTETD-CQSZACIVSA-N 1 0 319.424 2.768 20 70 DFIDRO CN(Cc1cccc(C#N)c1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000159869304 295383068 /nfs/dbraw/zinc/38/30/68/295383068.db2.gz VHWOZTKHGLGEAS-UHFFFAOYSA-N 1 0 307.397 2.892 20 70 DFIDRO CC(C)[NH+](CCCNC(=O)NCc1ncccc1F)C(C)C ZINC000159945436 295383981 /nfs/dbraw/zinc/38/39/81/295383981.db2.gz CGFLLBYIGULSOH-UHFFFAOYSA-N 1 0 310.417 2.529 20 70 DFIDRO CCOCC[N@H+](CC)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000160085611 295386096 /nfs/dbraw/zinc/38/60/96/295386096.db2.gz XUCKNZWBBURVPH-HNNXBMFYSA-N 1 0 319.367 2.967 20 70 DFIDRO C[N@@H+]1CC[C@@H](CNC(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000160106320 295386588 /nfs/dbraw/zinc/38/65/88/295386588.db2.gz PZAZRVALBABJKE-LBPRGKRZSA-N 1 0 302.349 2.767 20 70 DFIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000160245888 295388464 /nfs/dbraw/zinc/38/84/64/295388464.db2.gz KZWBBKCEISOKHL-LLVKDONJSA-N 1 0 322.232 2.748 20 70 DFIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC3(CCC3)C2)C1 ZINC000160287815 295389329 /nfs/dbraw/zinc/38/93/29/295389329.db2.gz ZJLIIFZWBFOCTB-IYBDPMFKSA-N 1 0 307.482 2.940 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@]1(C)CCCS1 ZINC000160280560 295389363 /nfs/dbraw/zinc/38/93/63/295389363.db2.gz LKNLIWAXWCEGKI-ZBFHGGJFSA-N 1 0 313.511 2.692 20 70 DFIDRO C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000160458949 295391562 /nfs/dbraw/zinc/39/15/62/295391562.db2.gz RYRYESDBFAMOMM-OAHLLOKOSA-N 1 0 304.434 2.514 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccc(F)cc1 ZINC000160490519 295391935 /nfs/dbraw/zinc/39/19/35/295391935.db2.gz LACRGHAIGHNLGM-QGZVFWFLSA-N 1 0 306.425 2.995 20 70 DFIDRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160527779 295392517 /nfs/dbraw/zinc/39/25/17/295392517.db2.gz CQJHACJNMUDTCN-LKFCYVNXSA-N 1 0 318.314 2.717 20 70 DFIDRO Cc1cccc2[nH]c(CNC(=O)c3ccc(C[NH+](C)C)cc3)nc21 ZINC000160559152 295393107 /nfs/dbraw/zinc/39/31/07/295393107.db2.gz ZVCSKDCZVHPMSO-UHFFFAOYSA-N 1 0 322.412 2.863 20 70 DFIDRO CC[NH+](CC)CCNC(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000160635419 295393710 /nfs/dbraw/zinc/39/37/10/295393710.db2.gz OHCZKDQJEBZPSK-KRWDZBQOSA-N 1 0 318.465 2.614 20 70 DFIDRO Cc1cc(C)c([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1C ZINC000160618475 295393860 /nfs/dbraw/zinc/39/38/60/295393860.db2.gz BPQDASWXZNXNGF-LBPRGKRZSA-N 1 0 302.340 2.941 20 70 DFIDRO Cc1cc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc(C)c1F ZINC000160623971 295394008 /nfs/dbraw/zinc/39/40/08/295394008.db2.gz IKISYVFHHYGSCW-JTQLQIEISA-N 1 0 306.303 2.772 20 70 DFIDRO Cc1nc2ccccn2c1CN(C)Cc1nccn1C(F)F ZINC000160813359 295395649 /nfs/dbraw/zinc/39/56/49/295395649.db2.gz OCTVWUACNAFYJU-UHFFFAOYSA-N 1 0 305.332 2.866 20 70 DFIDRO CC(=O)N(Cc1ccc(NC(=O)CC[NH2+]C(C)C)cc1)C(C)C ZINC000160955198 295396937 /nfs/dbraw/zinc/39/69/37/295396937.db2.gz LCIAALMDTFVTBU-UHFFFAOYSA-N 1 0 319.449 2.770 20 70 DFIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000161035563 295397652 /nfs/dbraw/zinc/39/76/52/295397652.db2.gz BGLGYUUQIUNOCW-UHFFFAOYSA-N 1 0 320.433 2.819 20 70 DFIDRO C[C@H]1CC[C@@H](C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)O1 ZINC000161451985 295402956 /nfs/dbraw/zinc/40/29/56/295402956.db2.gz JXPMBWMQGWIOQO-OTBWCIGPSA-N 1 0 308.466 2.713 20 70 DFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)CC(F)(F)F)c1 ZINC000161495614 295403655 /nfs/dbraw/zinc/40/36/55/295403655.db2.gz SVBVIKNRDTUOOH-NXEZZACHSA-N 1 0 324.368 2.586 20 70 DFIDRO CS[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000161499958 295403687 /nfs/dbraw/zinc/40/36/87/295403687.db2.gz QGPFYPRYBDITSO-ZDUSSCGKSA-N 1 0 312.454 2.858 20 70 DFIDRO OCCC[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000160781635 333656512 /nfs/dbraw/zinc/65/65/12/333656512.db2.gz LCDYZGVIOSEALW-INIZCTEOSA-N 1 0 312.404 2.819 20 70 DFIDRO C#CCOc1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000161198298 334884165 /nfs/dbraw/zinc/88/41/65/334884165.db2.gz YEPOWRJJALVJKF-UHFFFAOYSA-N 1 0 314.429 2.691 20 70 DFIDRO Cn1ncc2c1CCC[C@H]2NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000160421184 522030077 /nfs/dbraw/zinc/03/00/77/522030077.db2.gz URAPCYGQJFANEX-AEFFLSMTSA-N 1 0 304.482 2.898 20 70 DFIDRO COCC1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000159642826 522932723 /nfs/dbraw/zinc/93/27/23/522932723.db2.gz DSDCJXPRIPHEKA-UHFFFAOYSA-N 1 0 310.482 2.630 20 70 DFIDRO Cc1cc(Br)cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159815214 526154724 /nfs/dbraw/zinc/15/47/24/526154724.db2.gz ULPRRCJVXOLPBO-ZDUSSCGKSA-N 1 0 311.223 2.567 20 70 DFIDRO Cc1csc(N2CCC([NH2+]C[C@H]3CCCC[C@H]3O)CC2)n1 ZINC000160492111 526376823 /nfs/dbraw/zinc/37/68/23/526376823.db2.gz DFWMEENMNLKZHQ-UKRRQHHQSA-N 1 0 309.479 2.561 20 70 DFIDRO Cn1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000160448651 527177192 /nfs/dbraw/zinc/17/71/92/527177192.db2.gz ADTWUECBICGISP-UHFFFAOYSA-N 1 0 300.362 2.708 20 70 DFIDRO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160832653 535164703 /nfs/dbraw/zinc/16/47/03/535164703.db2.gz HJZFJJVPRZGKBZ-HUUCEWRRSA-N 1 0 314.433 2.684 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccc(F)cc1)C(C)C)CC2 ZINC000160449170 282118211 /nfs/dbraw/zinc/11/82/11/282118211.db2.gz DOOBSHBTTAGUJS-IRXDYDNUSA-N 1 0 316.424 2.897 20 70 DFIDRO c1nn(-c2ccccc2)cc1C[NH2+][C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159550149 186126324 /nfs/dbraw/zinc/12/63/24/186126324.db2.gz KRIQRBATXYPSKJ-SQNIBIBYSA-N 1 0 309.413 2.920 20 70 DFIDRO COCCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159574204 186128460 /nfs/dbraw/zinc/12/84/60/186128460.db2.gz ZNKVFLFUSNNCSA-KURKYZTESA-N 1 0 317.429 2.759 20 70 DFIDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000159576195 186128472 /nfs/dbraw/zinc/12/84/72/186128472.db2.gz PTYQSJFEUHZUNL-BXUZGUMPSA-N 1 0 314.476 2.604 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(OC(C)C)cc2)CC1 ZINC000159592344 186129677 /nfs/dbraw/zinc/12/96/77/186129677.db2.gz KQWJKPVYFKPHOV-UHFFFAOYSA-N 1 0 319.449 2.711 20 70 DFIDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000159646825 186133142 /nfs/dbraw/zinc/13/31/42/186133142.db2.gz LCVSTRWNZQWMAA-OLZOCXBDSA-N 1 0 308.447 2.898 20 70 DFIDRO NC(=O)CC1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000159729924 186137918 /nfs/dbraw/zinc/13/79/18/186137918.db2.gz KYVGXAHDVLYDFY-UHFFFAOYSA-N 1 0 316.323 2.515 20 70 DFIDRO COc1ccccc1C[N@H+](CCn1ccnc1)C[C@@H]1CCCO1 ZINC000159743968 186139185 /nfs/dbraw/zinc/13/91/85/186139185.db2.gz SNLKDLSDNCPUKT-KRWDZBQOSA-N 1 0 315.417 2.573 20 70 DFIDRO CCO[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000159742940 186139261 /nfs/dbraw/zinc/13/92/61/186139261.db2.gz HWNDOUMQVGYXRJ-GOSISDBHSA-N 1 0 316.445 2.755 20 70 DFIDRO O=C(c1cccc(OC(F)F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159756896 186140045 /nfs/dbraw/zinc/14/00/45/186140045.db2.gz RIIHWCOXLXLZKV-UHFFFAOYSA-N 1 0 324.371 2.892 20 70 DFIDRO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1C ZINC000159642063 398966718 /nfs/dbraw/zinc/96/67/18/398966718.db2.gz SJZYUPDLFZFGAX-KBPBESRZSA-N 1 0 318.417 2.865 20 70 DFIDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000159829784 398967572 /nfs/dbraw/zinc/96/75/72/398967572.db2.gz VQOGLZMHOUAUCW-AWEZNQCLSA-N 1 0 321.465 2.752 20 70 DFIDRO CCSCC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000160143481 398968520 /nfs/dbraw/zinc/96/85/20/398968520.db2.gz IEEFRUWOJAEIPP-OCCSQVGLSA-N 1 0 301.427 2.687 20 70 DFIDRO CCSCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000160143745 398969374 /nfs/dbraw/zinc/96/93/74/398969374.db2.gz IEEFRUWOJAEIPP-TZMCWYRMSA-N 1 0 301.427 2.687 20 70 DFIDRO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000160486057 398970287 /nfs/dbraw/zinc/97/02/87/398970287.db2.gz XYXDGQGBWBWGNP-KZNAEPCWSA-N 1 0 315.461 2.743 20 70 DFIDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000160543233 398971414 /nfs/dbraw/zinc/97/14/14/398971414.db2.gz NBDZAILSKVQBPB-CHWSQXEVSA-N 1 0 306.454 2.919 20 70 DFIDRO COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160562407 398971534 /nfs/dbraw/zinc/97/15/34/398971534.db2.gz ASWQEIUWEBWLHL-RDJZCZTQSA-N 1 0 316.445 2.918 20 70 DFIDRO CC[N@H+](CCCCS(C)(=O)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000161475900 398977173 /nfs/dbraw/zinc/97/71/73/398977173.db2.gz UNACUVXAQSGWNR-AWEZNQCLSA-N 1 0 308.447 2.766 20 70 DFIDRO O=C(Nc1ccc(F)nc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000159478803 284311750 /nfs/dbraw/zinc/31/17/50/284311750.db2.gz FQZCUUOXEUGEHR-WFASDCNBSA-N 1 0 318.396 2.701 20 70 DFIDRO CCN(CCc1nccs1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000161247734 197478405 /nfs/dbraw/zinc/47/84/05/197478405.db2.gz LYRWVMUNVIHBJO-UHFFFAOYSA-N 1 0 324.494 2.590 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000161250335 197478455 /nfs/dbraw/zinc/47/84/55/197478455.db2.gz PAVMKAKBDAFOFF-JSGCOSHPSA-N 1 0 310.463 2.802 20 70 DFIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000161062063 197461416 /nfs/dbraw/zinc/46/14/16/197461416.db2.gz WFEBLLZMBLGDBH-JJRVBVJISA-N 1 0 304.434 2.730 20 70 DFIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](CC)c2cnn(C)c2)c1 ZINC000160563863 197422755 /nfs/dbraw/zinc/42/27/55/197422755.db2.gz VWKAOPXEWJXWSS-KRWDZBQOSA-N 1 0 314.433 2.801 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CSCCc3ccccc31)CC2 ZINC000160519117 197418451 /nfs/dbraw/zinc/41/84/51/197418451.db2.gz HUIISCNEXTVNCF-GDBMZVCRSA-N 1 0 314.458 2.522 20 70 DFIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000160581706 197423446 /nfs/dbraw/zinc/42/34/46/197423446.db2.gz VSFDOOGUJNKNCY-KGLIPLIRSA-N 1 0 319.449 2.741 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)CC2 ZINC000160419822 197409558 /nfs/dbraw/zinc/40/95/58/197409558.db2.gz NVUXVCRGEYBJOO-GWCFXTLKSA-N 1 0 322.359 2.854 20 70 DFIDRO C[C@@H](CO)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160331323 197401372 /nfs/dbraw/zinc/40/13/72/197401372.db2.gz XRVPABBXDLQHCB-SNVBAGLBSA-N 1 0 309.207 2.715 20 70 DFIDRO CC(C)Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160279433 197397836 /nfs/dbraw/zinc/39/78/36/197397836.db2.gz LVCDRVKYAORPDI-KRWDZBQOSA-N 1 0 316.445 2.798 20 70 DFIDRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160170517 197390850 /nfs/dbraw/zinc/39/08/50/197390850.db2.gz UFAKEZVHNDCUQR-UWVGGRQHSA-N 1 0 317.216 2.710 20 70 DFIDRO CC(C)([NH3+])CNC(=O)CCOc1ccc(Cl)cc1Cl ZINC000160065678 197383566 /nfs/dbraw/zinc/38/35/66/197383566.db2.gz HPMHEJMDBPFBEV-UHFFFAOYSA-N 1 0 305.205 2.616 20 70 DFIDRO Cc1cccc2c(CCC(=O)N3CC[NH+](C(C)C)CC3)c[nH]c21 ZINC000160052945 197382620 /nfs/dbraw/zinc/38/26/20/197382620.db2.gz HGLMINWWPLTDPE-UHFFFAOYSA-N 1 0 313.445 2.962 20 70 DFIDRO CC(C)([NH3+])CNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000160049667 197382032 /nfs/dbraw/zinc/38/20/32/197382032.db2.gz JTINNLXQOCOENV-UHFFFAOYSA-N 1 0 302.340 2.837 20 70 DFIDRO CC[N@H+](C)CCNC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000160149733 197388748 /nfs/dbraw/zinc/38/87/48/197388748.db2.gz QTDXAXUBBFPHCT-LBPRGKRZSA-N 1 0 316.367 2.952 20 70 DFIDRO CCCCNC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000160101369 197386322 /nfs/dbraw/zinc/38/63/22/197386322.db2.gz PGPJYIJSKXPIKP-RHSMWYFYSA-N 1 0 304.434 2.731 20 70 DFIDRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000160101242 197385038 /nfs/dbraw/zinc/38/50/38/197385038.db2.gz PGPJYIJSKXPIKP-WMLDXEAASA-N 1 0 304.434 2.731 20 70 DFIDRO CC(C)([NH3+])CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000159942143 197375262 /nfs/dbraw/zinc/37/52/62/197375262.db2.gz MPVTYVLEFXZVQD-QWRGUYRKSA-N 1 0 301.217 2.950 20 70 DFIDRO CC[C@H]1CN(CC#Cc2cccc(Cl)c2)CC[N@@H+]1CCOC ZINC000159928294 197374253 /nfs/dbraw/zinc/37/42/53/197374253.db2.gz PXSUVKLKRNDALG-SFHVURJKSA-N 1 0 320.864 2.734 20 70 DFIDRO CC[C@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1cnn(C)c1 ZINC000159848916 197368425 /nfs/dbraw/zinc/36/84/25/197368425.db2.gz TYVMOXRJUXZAIT-BBRMVZONSA-N 1 0 318.490 2.969 20 70 DFIDRO Cc1cc(NC(=O)C2([NH3+])CCCCC2)ccc1C(=O)NC(C)C ZINC000159497800 197358083 /nfs/dbraw/zinc/35/80/83/197358083.db2.gz YCIXSNSVNXAJFQ-UHFFFAOYSA-N 1 0 317.433 2.733 20 70 DFIDRO CSc1ccc(O[C@@H](C)C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159502039 197358772 /nfs/dbraw/zinc/35/87/72/197358772.db2.gz CKZSQLKQMWIVDN-ZDUSSCGKSA-N 1 0 322.474 2.954 20 70 DFIDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000159397662 197351017 /nfs/dbraw/zinc/35/10/17/197351017.db2.gz LLDWZDHACAGASA-ZDUSSCGKSA-N 1 0 312.479 2.646 20 70 DFIDRO O=C(CSCc1cccc(Cl)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159367776 197349189 /nfs/dbraw/zinc/34/91/89/197349189.db2.gz NGGJMYUXEAQRCM-MRXNPFEDSA-N 1 0 324.877 2.785 20 70 DFIDRO COCCN(C)CC[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000159367939 197348166 /nfs/dbraw/zinc/34/81/66/197348166.db2.gz DZBRWICCKLMTCN-KBPBESRZSA-N 1 0 321.490 2.956 20 70 DFIDRO C#CCCCCNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000159369627 197348479 /nfs/dbraw/zinc/34/84/79/197348479.db2.gz LVIZGQIJWDSKPI-UHFFFAOYSA-N 1 0 301.434 2.611 20 70 DFIDRO CCN(CC)[C@H](C[NH2+]C1CCC(NC(C)=O)CC1)CC(C)C ZINC000161268085 284823457 /nfs/dbraw/zinc/82/34/57/284823457.db2.gz IGHLYUNPYAROQX-ABHNRTSZSA-N 1 0 311.514 2.780 20 70 DFIDRO CN(CC(=O)Nc1cccc(Cl)c1Cl)[C@H](C[NH3+])C1CC1 ZINC000160091788 197385013 /nfs/dbraw/zinc/38/50/13/197385013.db2.gz LDQSZCMCPWMDRY-GFCCVEGCSA-N 1 0 316.232 2.601 20 70 DFIDRO CCCN(C(=O)c1ccc(C[NH3+])o1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000160631095 542723424 /nfs/dbraw/zinc/72/34/24/542723424.db2.gz IOBUAVYULCERBE-LSDHHAIUSA-N 1 0 308.422 2.794 20 70 DFIDRO Cc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000159500631 542717706 /nfs/dbraw/zinc/71/77/06/542717706.db2.gz YSTVDGSAIQUGHY-YOEHRIQHSA-N 1 0 314.433 2.871 20 70 DFIDRO Cc1ccc(C(=O)CCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000160180092 542722166 /nfs/dbraw/zinc/72/21/66/542722166.db2.gz UVAYSZCJYQLVIF-UHFFFAOYSA-N 1 0 309.413 2.785 20 70 DFIDRO Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)[C@H](C)CO1 ZINC000160410319 542722940 /nfs/dbraw/zinc/72/29/40/542722940.db2.gz YSULHJOOQZFDJM-DYVFJYSZSA-N 1 0 314.385 2.649 20 70 DFIDRO C[C@H](CO)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160331188 542722974 /nfs/dbraw/zinc/72/29/74/542722974.db2.gz XRVPABBXDLQHCB-JTQLQIEISA-N 1 0 309.207 2.715 20 70 DFIDRO Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)[C@@H](C)CO1 ZINC000160410569 542723001 /nfs/dbraw/zinc/72/30/01/542723001.db2.gz YSULHJOOQZFDJM-GUYCJALGSA-N 1 0 314.385 2.649 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 ZINC000161103363 542726992 /nfs/dbraw/zinc/72/69/92/542726992.db2.gz WYQYMAJMAQKFNY-CHWSQXEVSA-N 1 0 319.792 2.995 20 70 DFIDRO Cc1ccc(C(C)C)cc1OCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161157863 542727028 /nfs/dbraw/zinc/72/70/28/542727028.db2.gz LHTURUNXUJMNHX-CVEARBPZSA-N 1 0 304.434 2.883 20 70 DFIDRO C[C@H](CC(=O)N1C[C@H](C)Oc2cc(F)ccc21)C1CC[NH2+]CC1 ZINC000161104061 542727289 /nfs/dbraw/zinc/72/72/89/542727289.db2.gz VAXPJPMEZBWTFM-OLZOCXBDSA-N 1 0 320.408 2.965 20 70 DFIDRO CCOc1ccccc1OCCCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161174724 542727738 /nfs/dbraw/zinc/72/77/38/542727738.db2.gz ROEJKMXAMKGGGN-HUUCEWRRSA-N 1 0 320.433 2.630 20 70 DFIDRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161438476 542729242 /nfs/dbraw/zinc/72/92/42/542729242.db2.gz KNQJRPCKHDOZQE-VXGBXAGGSA-N 1 0 319.430 2.640 20 70 DFIDRO CSc1ccc(O[C@H](C)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161463037 542729600 /nfs/dbraw/zinc/72/96/00/542729600.db2.gz KWZRWPWXFFDMIL-AGIUHOORSA-N 1 0 308.447 2.562 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2ccc(OC(F)F)cc2)C1 ZINC000161497872 542730703 /nfs/dbraw/zinc/73/07/03/542730703.db2.gz ODXCEVMYNDFEHE-CHWSQXEVSA-N 1 0 312.360 2.607 20 70 DFIDRO C[C@@H](CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccncc1 ZINC000160615513 542723859 /nfs/dbraw/zinc/72/38/59/542723859.db2.gz NDDWZPUPNJWXBQ-JKSUJKDBSA-N 1 0 301.434 2.520 20 70 DFIDRO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3Br)CC[C@H]2N1 ZINC000160739524 542724467 /nfs/dbraw/zinc/72/44/67/542724467.db2.gz UHLULWYTVYDZFG-TZMCWYRMSA-N 1 0 323.234 2.550 20 70 DFIDRO Cc1nc2ccccc2c(C)c1CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160771928 542724733 /nfs/dbraw/zinc/72/47/33/542724733.db2.gz HYSVNDNOIBRCGO-CABCVRRESA-N 1 0 311.429 2.780 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2c[nH]nc2-c2ccccc2Cl)C1 ZINC000160789827 542724815 /nfs/dbraw/zinc/72/48/15/542724815.db2.gz PQCYAHKBGGCYGJ-MNOVXSKESA-N 1 0 318.808 2.730 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2csc(-c3cccs3)n2)C1 ZINC000161008625 542726465 /nfs/dbraw/zinc/72/64/65/542726465.db2.gz RZLXCBCCPHODLB-NXEZZACHSA-N 1 0 307.444 2.871 20 70 DFIDRO CC[C@@H]([NH3+])CNC(=O)c1cccc(Br)c1Cl ZINC000160410815 522641015 /nfs/dbraw/zinc/64/10/15/522641015.db2.gz SXLXNRCBAREJEE-SSDOTTSWSA-N 1 0 305.603 2.570 20 70 DFIDRO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000218674347 542878929 /nfs/dbraw/zinc/87/89/29/542878929.db2.gz LNBCLTIOLNBQQJ-IIAWOOMASA-N 1 0 302.418 2.747 20 70 DFIDRO CCC[NH+]1CCC(NC(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000159565518 145219851 /nfs/dbraw/zinc/21/98/51/145219851.db2.gz QVLPKDDJMQVFLK-UHFFFAOYSA-N 1 0 321.469 2.925 20 70 DFIDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(Br)c2)C1 ZINC000159815407 267531900 /nfs/dbraw/zinc/53/19/00/267531900.db2.gz YCZZNFLWZWRVDW-YGRLFVJLSA-N 1 0 311.223 2.721 20 70 DFIDRO CC(C)([NH3+])CNC(=O)CSc1cc(Cl)ccc1Cl ZINC000160009272 267534455 /nfs/dbraw/zinc/53/44/55/267534455.db2.gz ZMFDJPSKNXDKIU-UHFFFAOYSA-N 1 0 307.246 2.939 20 70 DFIDRO CC[C@H](C(=O)Nc1ccc(OCCOC)c(Cl)c1)[NH+](C)C ZINC000160291185 267537490 /nfs/dbraw/zinc/53/74/90/267537490.db2.gz RHTALZJVQKYGLE-CYBMUJFWSA-N 1 0 314.813 2.644 20 70 DFIDRO CC(=O)N(C)c1cccc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000160332965 267538501 /nfs/dbraw/zinc/53/85/01/267538501.db2.gz GHLYPYWWJAIQES-UKRRQHHQSA-N 1 0 317.433 2.634 20 70 DFIDRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000218101204 268140037 /nfs/dbraw/zinc/14/00/37/268140037.db2.gz BLRLGZBELYTLBO-WLYUNCDWSA-N 1 0 312.454 2.839 20 70 DFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cccc(OCc2cccs2)c1 ZINC000160378209 425980317 /nfs/dbraw/zinc/98/03/17/425980317.db2.gz UYQQLXUWWOYBTA-CQSZACIVSA-N 1 0 316.426 2.890 20 70 DFIDRO Cc1cc(O[C@H](C)C(=O)N2CCC[C@H]2C[NH3+])ccc1C(C)C ZINC000160377275 425980579 /nfs/dbraw/zinc/98/05/79/425980579.db2.gz OQPNQNNZOYIJMH-CABCVRRESA-N 1 0 304.434 2.835 20 70 DFIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(N(C)C)cc1 ZINC000160442876 425983278 /nfs/dbraw/zinc/98/32/78/425983278.db2.gz YGWAFFIVAKHVEC-RDJZCZTQSA-N 1 0 313.449 2.708 20 70 DFIDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cncs1 ZINC000160449493 425983436 /nfs/dbraw/zinc/98/34/36/425983436.db2.gz CMWBMIHQEKEQNA-AWEZNQCLSA-N 1 0 317.458 2.826 20 70 DFIDRO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCCC1CCCCC1 ZINC000160497664 425984092 /nfs/dbraw/zinc/98/40/92/425984092.db2.gz BAHWJPHWCBKXLL-IEBWSBKVSA-N 1 0 322.493 2.700 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cnc3ccsc3c1)CC2 ZINC000160507532 425985446 /nfs/dbraw/zinc/98/54/46/425985446.db2.gz ZLTPDOWZBRPDQL-GXFFZTMASA-N 1 0 313.430 2.862 20 70 DFIDRO COCC[NH2+]CC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000160530318 425986342 /nfs/dbraw/zinc/98/63/42/425986342.db2.gz TXDHVLKNDNQTNU-HNNXBMFYSA-N 1 0 304.434 2.612 20 70 DFIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccccc1OC ZINC000160533541 425986454 /nfs/dbraw/zinc/98/64/54/425986454.db2.gz PUICGIPBTFFQKT-DZGCQCFKSA-N 1 0 300.406 2.651 20 70 DFIDRO CC[C@H](C)C[N@H+](CC)CCC(=O)Nc1sccc1C(N)=O ZINC000160538818 425986590 /nfs/dbraw/zinc/98/65/90/425986590.db2.gz HKGIKNSCTZMPND-NSHDSACASA-N 1 0 311.451 2.544 20 70 DFIDRO CC1CC[NH+](CCNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000160552084 425986801 /nfs/dbraw/zinc/98/68/01/425986801.db2.gz BONFGTCFQUTGGR-HOCLYGCPSA-N 1 0 322.399 2.916 20 70 DFIDRO CC(C)(O)C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000160597216 425988302 /nfs/dbraw/zinc/98/83/02/425988302.db2.gz JSGSSUIATQMFFC-GFCCVEGCSA-N 1 0 302.187 2.936 20 70 DFIDRO CCCCN(C)C(=O)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160628751 425990242 /nfs/dbraw/zinc/99/02/42/425990242.db2.gz OTYLIYMXAYWPNH-UHFFFAOYSA-N 1 0 323.525 2.833 20 70 DFIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)C2CCOCC2)c1 ZINC000160645436 425991404 /nfs/dbraw/zinc/99/14/04/425991404.db2.gz RMIKKBLTRHYMQY-CQSZACIVSA-N 1 0 304.434 2.731 20 70 DFIDRO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160686466 425992130 /nfs/dbraw/zinc/99/21/30/425992130.db2.gz BSRZDXLZDDKBLX-VQIMIIECSA-N 1 0 316.445 2.815 20 70 DFIDRO N#CCC[C@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000160719525 425993255 /nfs/dbraw/zinc/99/32/55/425993255.db2.gz MAQVBIWHLOEBSW-MSOLQXFVSA-N 1 0 324.428 2.687 20 70 DFIDRO CC1(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000160723654 425993539 /nfs/dbraw/zinc/99/35/39/425993539.db2.gz OADMHCLVAWRCNV-QGZVFWFLSA-N 1 0 315.461 2.793 20 70 DFIDRO CCOCCC1(C(=O)NC2CC[NH+](CC(C)C)CC2)CCC1 ZINC000160820999 425997275 /nfs/dbraw/zinc/99/72/75/425997275.db2.gz QXJDSEIJPRYTJA-UHFFFAOYSA-N 1 0 310.482 2.820 20 70 DFIDRO CC[NH+](CC)C[C@@H]1CCN(Cc2c(C)nc3ccccn32)C1 ZINC000160866268 425999406 /nfs/dbraw/zinc/99/94/06/425999406.db2.gz HTRHPVRVFUTOJK-INIZCTEOSA-N 1 0 300.450 2.806 20 70 DFIDRO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC[NH2+]CC1 ZINC000160855931 425999529 /nfs/dbraw/zinc/99/95/29/425999529.db2.gz HYZIEECJZNLGLJ-OAHLLOKOSA-N 1 0 303.450 2.887 20 70 DFIDRO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000160902729 426000089 /nfs/dbraw/zinc/00/00/89/426000089.db2.gz UMXUHXAOTDIOMM-ZVZYQTTQSA-N 1 0 314.433 2.979 20 70 DFIDRO C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cncc(F)c1 ZINC000160950576 426002677 /nfs/dbraw/zinc/00/26/77/426002677.db2.gz AUJLVOLFTWUWPM-LBPRGKRZSA-N 1 0 322.405 2.616 20 70 DFIDRO CC(C)NC(=O)C[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000160955723 426002787 /nfs/dbraw/zinc/00/27/87/426002787.db2.gz HQZIHWFTIGEURY-VXGBXAGGSA-N 1 0 305.447 2.903 20 70 DFIDRO CC[C@H]([NH2+]CC(=O)NC(C)C)c1ccc(OC(F)F)cc1 ZINC000160985510 426004123 /nfs/dbraw/zinc/00/41/23/426004123.db2.gz VXPOOEGDBRIDIM-ZDUSSCGKSA-N 1 0 300.349 2.853 20 70 DFIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000160987716 426004321 /nfs/dbraw/zinc/00/43/21/426004321.db2.gz QOSYQBHMJXBHAL-MRXNPFEDSA-N 1 0 312.417 2.572 20 70 DFIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000160997369 426004630 /nfs/dbraw/zinc/00/46/30/426004630.db2.gz HKGYLHLHKPOQSR-JTQLQIEISA-N 1 0 304.312 2.760 20 70 DFIDRO CCOCCC[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000159583503 425963155 /nfs/dbraw/zinc/96/31/55/425963155.db2.gz SZGRWDYJBZZFSO-UHFFFAOYSA-N 1 0 324.852 2.915 20 70 DFIDRO CCN(CC)[C@@H](C[NH2+]Cc1cn(C)nc1C)c1ccccc1 ZINC000159562863 425963368 /nfs/dbraw/zinc/96/33/68/425963368.db2.gz DRJLXBQWUHGTQK-SFHVURJKSA-N 1 0 300.450 2.901 20 70 DFIDRO CCCOc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1OC ZINC000159642821 425963868 /nfs/dbraw/zinc/96/38/68/425963868.db2.gz XPJJHPNVXVZZHU-ZFWWWQNUSA-N 1 0 320.433 2.570 20 70 DFIDRO C[NH+]1CCC(C(=O)NC[C@@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000159636524 425964674 /nfs/dbraw/zinc/96/46/74/425964674.db2.gz PBNYKEWXJCFIRL-FXAWDEMLSA-N 1 0 312.457 2.739 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)N2CC[NH+](CC(C)C)CC2)n1 ZINC000159655352 425965110 /nfs/dbraw/zinc/96/51/10/425965110.db2.gz ZKUICZXHBDMFMK-UHFFFAOYSA-N 1 0 321.469 2.735 20 70 DFIDRO CN(Cc1cc(Br)ccc1F)[C@H](C[NH3+])C1CC1 ZINC000159669007 425965193 /nfs/dbraw/zinc/96/51/93/425965193.db2.gz SULLJFDJHPFXGZ-CYBMUJFWSA-N 1 0 301.203 2.757 20 70 DFIDRO COCCC1(CNC(=O)N(CC[NH+](C)C)C(C)C)CCCC1 ZINC000159668061 425965422 /nfs/dbraw/zinc/96/54/22/425965422.db2.gz VZMNEOBLLNPEEJ-UHFFFAOYSA-N 1 0 313.486 2.565 20 70 DFIDRO CC(=O)Nc1cccc(C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000159661853 425965643 /nfs/dbraw/zinc/96/56/43/425965643.db2.gz CHDUVXMHNPDONK-UHFFFAOYSA-N 1 0 317.433 2.687 20 70 DFIDRO Cc1ccc(-c2cc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)on2)cc1 ZINC000159741411 425966079 /nfs/dbraw/zinc/96/60/79/425966079.db2.gz VUTXEEHSCFIMBV-GASCZTMLSA-N 1 0 311.385 2.617 20 70 DFIDRO C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc(O)c1 ZINC000159750603 425966228 /nfs/dbraw/zinc/96/62/28/425966228.db2.gz OFSWVAANRQMDTD-HLIUYOAVSA-N 1 0 319.449 2.873 20 70 DFIDRO CCOc1cccc(CCNC(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000159793878 425967337 /nfs/dbraw/zinc/96/73/37/425967337.db2.gz GHXPRNPASBIHDF-UHFFFAOYSA-N 1 0 321.465 2.609 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)c2ccccc2F)CC1 ZINC000159791701 425967362 /nfs/dbraw/zinc/96/73/62/425967362.db2.gz FTBSDPGZMSELRR-UHFFFAOYSA-N 1 0 321.440 2.841 20 70 DFIDRO CCCCn1ncc(NC(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000159838216 425968645 /nfs/dbraw/zinc/96/86/45/425968645.db2.gz ZIJZNIOJBWMWRM-UHFFFAOYSA-N 1 0 321.469 2.986 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)c2cccc(C)c2)CC1 ZINC000159897028 425969847 /nfs/dbraw/zinc/96/98/47/425969847.db2.gz MPZMQECDSQSOBG-MRXNPFEDSA-N 1 0 303.450 2.836 20 70 DFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1(C)CCC1 ZINC000159929651 425970134 /nfs/dbraw/zinc/97/01/34/425970134.db2.gz XHOCFTKLXMPDMG-ZBFHGGJFSA-N 1 0 301.434 2.749 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](c2ncc(C)s2)C2CC2)CC1 ZINC000159911668 425970398 /nfs/dbraw/zinc/97/03/98/425970398.db2.gz DOWVDXZCINPCLO-AWEZNQCLSA-N 1 0 322.478 2.640 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)c2cccc(C)c2)CC1 ZINC000159897193 425970479 /nfs/dbraw/zinc/97/04/79/425970479.db2.gz MPZMQECDSQSOBG-INIZCTEOSA-N 1 0 303.450 2.836 20 70 DFIDRO CCOC[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159988207 425971167 /nfs/dbraw/zinc/97/11/67/425971167.db2.gz HFHPFFCFVSTWGF-INIZCTEOSA-N 1 0 310.482 2.630 20 70 DFIDRO CC(C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000160052262 425973295 /nfs/dbraw/zinc/97/32/95/425973295.db2.gz QSDSXOMFRWTPQU-DZGCQCFKSA-N 1 0 308.372 2.621 20 70 DFIDRO CCS(=O)(=O)c1ccc(NCC2([NH+](C)C)CCCC2)cc1 ZINC000161033536 426005418 /nfs/dbraw/zinc/00/54/18/426005418.db2.gz BNYQTZHIOKBSFM-UHFFFAOYSA-N 1 0 310.463 2.767 20 70 DFIDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1cc(F)ccc1Br ZINC000161024179 426005450 /nfs/dbraw/zinc/00/54/50/426005450.db2.gz HYTHSLAKJRJXEB-VVVCHXIZSA-N 1 0 322.243 2.835 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(CC#N)cc1 ZINC000160074095 425974118 /nfs/dbraw/zinc/97/41/18/425974118.db2.gz MNFUQNHSEONIBW-KRWDZBQOSA-N 1 0 314.433 2.995 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000160069938 425974152 /nfs/dbraw/zinc/97/41/52/425974152.db2.gz FBIQDCRFDVYYAH-CYBMUJFWSA-N 1 0 306.435 2.636 20 70 DFIDRO CCc1nccn1[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160112079 425974525 /nfs/dbraw/zinc/97/45/25/425974525.db2.gz HGWLSBKEYZQQAL-HNNXBMFYSA-N 1 0 309.417 2.930 20 70 DFIDRO O=C(NCCCO[C@H]1CCCc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000160123716 425975816 /nfs/dbraw/zinc/97/58/16/425975816.db2.gz RBFWDJWNWYUIIO-MSOLQXFVSA-N 1 0 316.445 2.729 20 70 DFIDRO CSC[C@H](CCO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000160174019 425976732 /nfs/dbraw/zinc/97/67/32/425976732.db2.gz AYQIGPAGVHNBNL-GJZGRUSLSA-N 1 0 324.446 2.620 20 70 DFIDRO CC[C@H]([NH2+][C@H](CCO)CSC)c1ccc(OC)c(OC)c1 ZINC000160243738 425977730 /nfs/dbraw/zinc/97/77/30/425977730.db2.gz KHWHIOOTMKFVGU-KGLIPLIRSA-N 1 0 313.463 2.859 20 70 DFIDRO C#CCCCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000160310917 425977919 /nfs/dbraw/zinc/97/79/19/425977919.db2.gz BKBFNLLMQKACSQ-GOSISDBHSA-N 1 0 313.445 2.926 20 70 DFIDRO CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)s1 ZINC000160316172 425979281 /nfs/dbraw/zinc/97/92/81/425979281.db2.gz HPMBPQYNWUXGSB-CABZTGNLSA-N 1 0 305.451 2.579 20 70 DFIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000161418343 426022575 /nfs/dbraw/zinc/02/25/75/426022575.db2.gz BHDCLXHUNXEYKV-WBVHZDCISA-N 1 0 304.434 2.870 20 70 DFIDRO CCC[C@@H](C(=O)Nc1cccc(NC(=O)C2CC2)c1)[NH+](C)C ZINC000161455986 426024207 /nfs/dbraw/zinc/02/42/07/426024207.db2.gz KVIQAWVYDFHCNW-HNNXBMFYSA-N 1 0 303.406 2.704 20 70 DFIDRO CCCCN1CCCC[C@@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161462980 426025365 /nfs/dbraw/zinc/02/53/65/426025365.db2.gz XQWCUNFMRSJVBS-DAWZGUTISA-N 1 0 309.498 2.678 20 70 DFIDRO C[C@H]1CN(Cc2ccc(Br)c(F)c2)C[C@H](C)[NH2+]1 ZINC000161496626 426026319 /nfs/dbraw/zinc/02/63/19/426026319.db2.gz WRNILCWPUQMCCX-UWVGGRQHSA-N 1 0 301.203 2.770 20 70 DFIDRO COc1cc(OC)c(OC)cc1NC(=O)CCCCCC[NH3+] ZINC000161495252 426026732 /nfs/dbraw/zinc/02/67/32/426026732.db2.gz NJYRTBFBNHOFKI-UHFFFAOYSA-N 1 0 310.394 2.560 20 70 DFIDRO C[NH2+][C@H]1CCCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161491789 426026901 /nfs/dbraw/zinc/02/69/01/426026901.db2.gz ZEJLVIHEGGKHJD-NSHDSACASA-N 1 0 301.203 2.772 20 70 DFIDRO C[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)N(C)Cc1ccccc1 ZINC000161511116 426027282 /nfs/dbraw/zinc/02/72/82/426027282.db2.gz HTQJIDOKAPTMNL-INIZCTEOSA-N 1 0 318.461 2.782 20 70 DFIDRO O=C(CC1CC[NH2+]CC1)Nc1ccc(F)cc1OC(F)F ZINC000161084465 426007631 /nfs/dbraw/zinc/00/76/31/426007631.db2.gz RXMNVGVOFZLDIL-UHFFFAOYSA-N 1 0 302.296 2.755 20 70 DFIDRO C[NH+](C)[C@@H](CNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)C1CC1 ZINC000161155137 426011006 /nfs/dbraw/zinc/01/10/06/426011006.db2.gz TWVAODVTNJCVPB-INWMFGNUSA-N 1 0 308.372 2.525 20 70 DFIDRO COCCC1(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000161155579 426011771 /nfs/dbraw/zinc/01/17/71/426011771.db2.gz FBMFIRUXPUECAV-QGZVFWFLSA-N 1 0 322.493 2.774 20 70 DFIDRO CO[C@H]1CCN(Cc2cc(Cl)ccc2Cl)[C@H](C[NH3+])C1 ZINC000161191061 426012115 /nfs/dbraw/zinc/01/21/15/426012115.db2.gz GZPPQPWNRYLFCH-STQMWFEESA-N 1 0 303.233 2.932 20 70 DFIDRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc1OC ZINC000161204125 426012189 /nfs/dbraw/zinc/01/21/89/426012189.db2.gz KQVGBXMOLRNHJE-SQWLQELKSA-N 1 0 323.433 2.796 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161247835 426014815 /nfs/dbraw/zinc/01/48/15/426014815.db2.gz GEKRJNOPTLMHTE-CORIIIEPSA-N 1 0 310.438 2.611 20 70 DFIDRO O=C(C1CCN(CCC[NH+]2CCCCC2)CC1)N1CCCCC1 ZINC000161255348 426015468 /nfs/dbraw/zinc/01/54/68/426015468.db2.gz UZDMSHGFDANRBC-UHFFFAOYSA-N 1 0 321.509 2.587 20 70 DFIDRO CCc1ccc(/C=C/C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000161266200 426016286 /nfs/dbraw/zinc/01/62/86/426016286.db2.gz YEHOHCQSWVKLDF-JBRJIWJGSA-N 1 0 302.418 2.798 20 70 DFIDRO Cc1ccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)cn1 ZINC000161292737 426017240 /nfs/dbraw/zinc/01/72/40/426017240.db2.gz BVYUPONDZDZWTG-NSHDSACASA-N 1 0 309.211 2.527 20 70 DFIDRO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000161288147 426017736 /nfs/dbraw/zinc/01/77/36/426017736.db2.gz JWOAPCCBNMRQGM-AWEZNQCLSA-N 1 0 313.380 2.688 20 70 DFIDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)cn1 ZINC000161318685 426018907 /nfs/dbraw/zinc/01/89/07/426018907.db2.gz CLMJCSPNEOGOGB-ZDUSSCGKSA-N 1 0 319.430 2.612 20 70 DFIDRO CC[C@@H](C)OCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000161346931 426019855 /nfs/dbraw/zinc/01/98/55/426019855.db2.gz DBZZYOWNKRMXHZ-JZXOWHBKSA-N 1 0 318.461 2.828 20 70 DFIDRO COC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc(OC)c1 ZINC000161333965 426020370 /nfs/dbraw/zinc/02/03/70/426020370.db2.gz PCXRZAPPOLCWHF-MJGOQNOKSA-N 1 0 315.413 2.576 20 70 DFIDRO c1ccc(NC[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000161368631 426021517 /nfs/dbraw/zinc/02/15/17/426021517.db2.gz HGBMLAUFIIFLLM-QGZVFWFLSA-N 1 0 302.466 2.691 20 70 DFIDRO CC(=O)NC1CCC([NH2+]Cc2cc(-c3ccccc3)on2)CC1 ZINC000161396058 426021842 /nfs/dbraw/zinc/02/18/42/426021842.db2.gz YRLCAQDODFZYOH-UHFFFAOYSA-N 1 0 313.401 2.879 20 70 DFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1c(C)onc1-c1ccncc1 ZINC000161390678 426021888 /nfs/dbraw/zinc/02/18/88/426021888.db2.gz DEOVZHCPKBPNBE-LBPRGKRZSA-N 1 0 316.405 2.505 20 70 DFIDRO C[C@H](C[NH2+]C1CCC2(CC1)OCCO2)N1CCc2ccccc21 ZINC000161391366 426022018 /nfs/dbraw/zinc/02/20/18/426022018.db2.gz ULZIUMLZRDYZBL-OAHLLOKOSA-N 1 0 316.445 2.713 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@@H](C)COCc2ccccc2)CC1 ZINC000161387949 426022108 /nfs/dbraw/zinc/02/21/08/426022108.db2.gz YNLDIMQIYAKFMS-VNCLNFNDSA-N 1 0 318.461 2.876 20 70 DFIDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217851901 426564567 /nfs/dbraw/zinc/56/45/67/426564567.db2.gz PSNKGDGNYVLSNC-LBPRGKRZSA-N 1 0 322.243 2.792 20 70 DFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000159666016 274313717 /nfs/dbraw/zinc/31/37/17/274313717.db2.gz NYPQIKPNHXGJPA-PWSUYJOCSA-N 1 0 316.323 2.671 20 70 DFIDRO CC[N@H+](C)CCNC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000160146129 276070314 /nfs/dbraw/zinc/07/03/14/276070314.db2.gz RXVMJXUXDQXYHI-LBPRGKRZSA-N 1 0 316.367 2.952 20 70 DFIDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C[C@@H]1C ZINC000161489574 276287924 /nfs/dbraw/zinc/28/79/24/276287924.db2.gz XGCDFZFMNIQFQZ-JJXSEGSLSA-N 1 0 322.449 2.840 20 70 DFIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc2c(c1)CCO2 ZINC000160391391 276440005 /nfs/dbraw/zinc/44/00/05/276440005.db2.gz JXSPSPXJVLBJGO-HZPDHXFCSA-N 1 0 312.417 2.577 20 70 DFIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000160494917 276593507 /nfs/dbraw/zinc/59/35/07/276593507.db2.gz PCXCOYCHSGDHNE-ZFWWWQNUSA-N 1 0 315.377 2.550 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 ZINC000161341260 277024470 /nfs/dbraw/zinc/02/44/70/277024470.db2.gz NWGCNIZGKCLFBJ-IWCVFHTOSA-N 1 0 309.498 2.534 20 70 DFIDRO CC1(C)CCC(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000160309256 278193162 /nfs/dbraw/zinc/19/31/62/278193162.db2.gz GHYKMOSOBDWGQQ-INIZCTEOSA-N 1 0 322.493 2.774 20 70 DFIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000159645006 295379543 /nfs/dbraw/zinc/37/95/43/295379543.db2.gz HIJURIOFTCNBJI-MAZHCROVSA-N 1 0 322.836 2.538 20 70 DFIDRO CCC[C@H](NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159621346 295379554 /nfs/dbraw/zinc/37/95/54/295379554.db2.gz FUQNIPWEBMWZHY-BZSNNMDCSA-N 1 0 318.461 2.737 20 70 DFIDRO CCCCn1ncc(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)c1C ZINC000159721175 295380691 /nfs/dbraw/zinc/38/06/91/295380691.db2.gz NCBCXOVUTXDOIZ-CQSZACIVSA-N 1 0 307.442 2.597 20 70 DFIDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CC1CCCCC1)C1CC1 ZINC000159766558 295381804 /nfs/dbraw/zinc/38/18/04/295381804.db2.gz RZIUGQZOFPKJEA-UHFFFAOYSA-N 1 0 319.405 2.801 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000159841868 295382691 /nfs/dbraw/zinc/38/26/91/295382691.db2.gz IKFHOEYENQVJQB-CYBMUJFWSA-N 1 0 311.223 2.567 20 70 DFIDRO COc1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1F ZINC000159905511 295383681 /nfs/dbraw/zinc/38/36/81/295383681.db2.gz LAZKKBBVWCQFPH-UHFFFAOYSA-N 1 0 316.376 2.826 20 70 DFIDRO Cc1noc(Cl)c1CC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000159989523 295385227 /nfs/dbraw/zinc/38/52/27/295385227.db2.gz MAADYDBNHIUWEV-UHFFFAOYSA-N 1 0 321.808 2.557 20 70 DFIDRO Cc1cccc([C@H]2CCC[N@H+]2CCC(=O)N2CCC[C@@H]2C)n1 ZINC000160140389 295387008 /nfs/dbraw/zinc/38/70/08/295387008.db2.gz FASVAIRUKNNCEB-DOTOQJQBSA-N 1 0 301.434 2.928 20 70 DFIDRO CCCCn1ncc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1C ZINC000160221913 295388329 /nfs/dbraw/zinc/38/83/29/295388329.db2.gz VJDSAKSJUKHZFN-CQSZACIVSA-N 1 0 321.469 2.845 20 70 DFIDRO CCCCn1ncc(NC(=O)N2CC[C@H]([NH+](CC)CC)C2)c1C ZINC000160258855 295388705 /nfs/dbraw/zinc/38/87/05/295388705.db2.gz QCWCSCUMSMQOJI-HNNXBMFYSA-N 1 0 321.469 2.940 20 70 DFIDRO CCCCn1ncc(NC(=O)N2CC[C@H](C[N@H+](C)CC)C2)c1C ZINC000160259422 295388928 /nfs/dbraw/zinc/38/89/28/295388928.db2.gz CKRFYZQPVUSAME-OAHLLOKOSA-N 1 0 321.469 2.797 20 70 DFIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)[C@H](C)C3CC3)c2c1 ZINC000160452527 295391796 /nfs/dbraw/zinc/39/17/96/295391796.db2.gz QSUJCWUWQXCZRF-LLVKDONJSA-N 1 0 314.385 2.868 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC000160516979 295392198 /nfs/dbraw/zinc/39/21/98/295392198.db2.gz FSMOCWMPWQGINY-LLVKDONJSA-N 1 0 314.351 2.954 20 70 DFIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000160536937 295392363 /nfs/dbraw/zinc/39/23/63/295392363.db2.gz CQJXHXVELOTTFE-KBPBESRZSA-N 1 0 317.433 2.728 20 70 DFIDRO N#Cc1cc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)ccc1F ZINC000160610736 295393445 /nfs/dbraw/zinc/39/34/45/295393445.db2.gz FLXXNPCPBUJWGC-UHFFFAOYSA-N 1 0 315.392 2.532 20 70 DFIDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000160606776 295393517 /nfs/dbraw/zinc/39/35/17/295393517.db2.gz WCECATRTXXKESZ-CPUCHLNUSA-N 1 0 320.433 2.553 20 70 DFIDRO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)CC(C)(C)C ZINC000160674063 295394311 /nfs/dbraw/zinc/39/43/11/295394311.db2.gz KFVRGDLAKJQGFY-UHFFFAOYSA-N 1 0 306.406 2.764 20 70 DFIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@H]1c1ccc[nH]1 ZINC000160887988 295396291 /nfs/dbraw/zinc/39/62/91/295396291.db2.gz WJNOBFQPGCGHRL-YOEHRIQHSA-N 1 0 316.449 2.878 20 70 DFIDRO Cc1ccc(Br)c(C(=O)NC2(C[NH3+])CCCC2)c1 ZINC000161250146 295400307 /nfs/dbraw/zinc/40/03/07/295400307.db2.gz MQECJCYZJPSVHI-UHFFFAOYSA-N 1 0 311.223 2.759 20 70 DFIDRO CCC[C@H](C(=O)NCc1ccc(Br)s1)[NH+](C)C ZINC000161489183 295403737 /nfs/dbraw/zinc/40/37/37/295403737.db2.gz BHOVBHGWVRCZOO-SNVBAGLBSA-N 1 0 319.268 2.857 20 70 DFIDRO C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)C1CCOCC1 ZINC000160817118 298008547 /nfs/dbraw/zinc/00/85/47/298008547.db2.gz WIBLGMOZCZPULN-CABCVRRESA-N 1 0 308.466 2.524 20 70 DFIDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159489581 520284298 /nfs/dbraw/zinc/28/42/98/520284298.db2.gz AYRYGSKSNKJPDB-OAHLLOKOSA-N 1 0 303.450 2.806 20 70 DFIDRO CCOCCC[N@H+](Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000160458591 521705181 /nfs/dbraw/zinc/70/51/81/521705181.db2.gz YUAIOQOYWQHQLU-GOSISDBHSA-N 1 0 320.477 2.636 20 70 DFIDRO CCOCCC[N@H+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000160458462 521705271 /nfs/dbraw/zinc/70/52/71/521705271.db2.gz YUAIOQOYWQHQLU-SFHVURJKSA-N 1 0 320.477 2.636 20 70 DFIDRO C[N@H+](CCNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)C1CCCCC1 ZINC000159604868 522854011 /nfs/dbraw/zinc/85/40/11/522854011.db2.gz CVERUZAMIVVWPX-RDJZCZTQSA-N 1 0 323.481 2.508 20 70 DFIDRO COc1ccccc1C[C@H]([NH2+][C@@H](CCO)CSC)C(C)C ZINC000160396301 524512921 /nfs/dbraw/zinc/51/29/21/524512921.db2.gz RRUKWRXPEDRFDM-HOTGVXAUSA-N 1 0 311.491 2.966 20 70 DFIDRO Oc1ccccc1C[N@@H+](CC1=CCCOC1)C[C@H]1CCCO1 ZINC000160198799 526372515 /nfs/dbraw/zinc/37/25/15/526372515.db2.gz WURHQUGZMAXLGQ-QGZVFWFLSA-N 1 0 303.402 2.720 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc3c(s1)CCC3)CC2 ZINC000160449937 527195845 /nfs/dbraw/zinc/19/58/45/527195845.db2.gz MZXRDXZGWFLDDY-MFKMUULPSA-N 1 0 302.447 2.802 20 70 DFIDRO Cc1nn(C)cc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160169650 527692008 /nfs/dbraw/zinc/69/20/08/527692008.db2.gz JXMCUEFFUZQZFK-QGZVFWFLSA-N 1 0 315.417 2.615 20 70 DFIDRO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160832417 535164417 /nfs/dbraw/zinc/16/44/17/535164417.db2.gz HJZFJJVPRZGKBZ-LSDHHAIUSA-N 1 0 314.433 2.684 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCOc3cc(C)ccc31)CC2 ZINC000160366521 282117950 /nfs/dbraw/zinc/11/79/50/282117950.db2.gz HIOLCVXBAAEENW-GOEBONIOSA-N 1 0 312.417 2.713 20 70 DFIDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159539564 186125895 /nfs/dbraw/zinc/12/58/95/186125895.db2.gz HKUGBZULVIRNOW-LSDHHAIUSA-N 1 0 304.434 2.789 20 70 DFIDRO CC(C)N(C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159568089 186127584 /nfs/dbraw/zinc/12/75/84/186127584.db2.gz IFGWWBBTWMMARS-WBVHZDCISA-N 1 0 304.434 2.521 20 70 DFIDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159582481 186129086 /nfs/dbraw/zinc/12/90/86/186129086.db2.gz WIGNMNOXPWUEAV-JQWIXIFHSA-N 1 0 317.451 2.775 20 70 DFIDRO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)C[C@H]1CCC[C@@H]1O ZINC000159606092 186129996 /nfs/dbraw/zinc/12/99/96/186129996.db2.gz GCOASZHKWQFVKE-YGRLFVJLSA-N 1 0 314.788 2.510 20 70 DFIDRO CC(=O)Nc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159621948 186131469 /nfs/dbraw/zinc/13/14/69/186131469.db2.gz HZJPSDYQKFTCDS-IKGGRYGDSA-N 1 0 300.402 2.692 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000159674224 186134853 /nfs/dbraw/zinc/13/48/53/186134853.db2.gz FTLWOYPQSLVSBF-KCQAQPDRSA-N 1 0 311.447 2.556 20 70 DFIDRO COCCC[N@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159688319 186135980 /nfs/dbraw/zinc/13/59/80/186135980.db2.gz DQLUIJDLCITOPE-HNNXBMFYSA-N 1 0 310.825 2.804 20 70 DFIDRO C[C@H](Cc1ccccc1F)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000159494470 398965322 /nfs/dbraw/zinc/96/53/22/398965322.db2.gz KCCBBIYFNSMMES-CZUORRHYSA-N 1 0 304.409 2.605 20 70 DFIDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000159936221 296164341 /nfs/dbraw/zinc/16/43/41/296164341.db2.gz AFQJSCMSQUUIGH-OCCSQVGLSA-N 1 0 311.447 2.698 20 70 DFIDRO COC(=O)c1cc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1C ZINC000161489829 197498896 /nfs/dbraw/zinc/49/88/96/197498896.db2.gz VFIYCDYXYXIUHL-ZIAGYGMSSA-N 1 0 318.417 2.746 20 70 DFIDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(-c2ccc(OC)cc2)cc1 ZINC000161265986 197480007 /nfs/dbraw/zinc/48/00/07/197480007.db2.gz RJMSTXVUNHUFJQ-CQSZACIVSA-N 1 0 312.413 2.834 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000161230445 197476074 /nfs/dbraw/zinc/47/60/74/197476074.db2.gz XPJUQMXMUZCCFF-HNNXBMFYSA-N 1 0 306.425 2.982 20 70 DFIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCc1ccccc1OC1CCC1 ZINC000161199001 197473111 /nfs/dbraw/zinc/47/31/11/197473111.db2.gz ISSHYFFEURFBDP-SFHVURJKSA-N 1 0 324.424 2.804 20 70 DFIDRO Cc1ncc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)s1 ZINC000160926159 197450562 /nfs/dbraw/zinc/45/05/62/197450562.db2.gz NWCHPABNTIHQQG-UHFFFAOYSA-N 1 0 324.494 2.715 20 70 DFIDRO CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000160861907 197444911 /nfs/dbraw/zinc/44/49/11/197444911.db2.gz ZLHPZGLBCFIVQQ-RCDICMHDSA-N 1 0 322.474 2.672 20 70 DFIDRO CC(C)[C@H]([NH3+])C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000160862310 197444959 /nfs/dbraw/zinc/44/49/59/197444959.db2.gz ULRGXOJFEKVAIB-LHSJRXKWSA-N 1 0 310.463 2.656 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(Cl)ccc2Br)C1 ZINC000160741163 197435645 /nfs/dbraw/zinc/43/56/45/197435645.db2.gz CAECCOHRACCAFS-VIFPVBQESA-N 1 0 317.614 2.536 20 70 DFIDRO CC(C)(C[NH3+])NC(=O)c1cccc(Br)c1Cl ZINC000160409875 197408315 /nfs/dbraw/zinc/40/83/15/197408315.db2.gz GMCCJZLGUGALIU-UHFFFAOYSA-N 1 0 305.603 2.570 20 70 DFIDRO C[C@@H](Cc1ccccc1F)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000160268177 197396672 /nfs/dbraw/zinc/39/66/72/197396672.db2.gz ACDVINIKFLNJSM-SQWLQELKSA-N 1 0 304.409 2.699 20 70 DFIDRO C[C@@H](CC(=O)N1CC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000160271988 197396768 /nfs/dbraw/zinc/39/67/68/197396768.db2.gz CHRKCPWXVXLCMG-GXFFZTMASA-N 1 0 300.324 2.759 20 70 DFIDRO Cc1nnc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000160241417 197395330 /nfs/dbraw/zinc/39/53/30/197395330.db2.gz ZMDLMBYZTOKYGA-SCLBCKFNSA-N 1 0 321.428 2.898 20 70 DFIDRO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC(C)(C)C ZINC000160219169 197393279 /nfs/dbraw/zinc/39/32/79/197393279.db2.gz ORIRMQDVIMJJLW-UHFFFAOYSA-N 1 0 305.422 2.952 20 70 DFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(COc2ccccc2)cc1 ZINC000160226428 197394369 /nfs/dbraw/zinc/39/43/69/197394369.db2.gz NUSJZRBILKXFIV-QGZVFWFLSA-N 1 0 310.397 2.829 20 70 DFIDRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000160054926 197382872 /nfs/dbraw/zinc/38/28/72/197382872.db2.gz FYAVAMBAUDOEHV-YOEHRIQHSA-N 1 0 324.490 2.726 20 70 DFIDRO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000160104876 197386060 /nfs/dbraw/zinc/38/60/60/197386060.db2.gz RMVHLOIHLQIWOW-NSHDSACASA-N 1 0 305.809 2.811 20 70 DFIDRO CCCCNC(=O)c1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000160098689 197385737 /nfs/dbraw/zinc/38/57/37/197385737.db2.gz FICVKWFINGTYIQ-QAPCUYQASA-N 1 0 317.477 2.789 20 70 DFIDRO CC[NH+](CC)CC(=O)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000159958246 197375746 /nfs/dbraw/zinc/37/57/46/197375746.db2.gz OSTLSHHPQGEECG-LJQANCHMSA-N 1 0 311.429 2.937 20 70 DFIDRO C[C@H](Cc1ccccc1F)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159864830 197370437 /nfs/dbraw/zinc/37/04/37/197370437.db2.gz YUOKQZJLBWLHCC-CQSZACIVSA-N 1 0 318.436 2.995 20 70 DFIDRO CC[C@@H](COC)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000159866369 197369757 /nfs/dbraw/zinc/36/97/57/197369757.db2.gz SVYUTRLBHDOKJT-HOCLYGCPSA-N 1 0 321.465 2.840 20 70 DFIDRO COc1ccc(C[NH+]2CCC(CC(N)=O)CC2)c2ccccc12 ZINC000159839364 197367799 /nfs/dbraw/zinc/36/77/99/197367799.db2.gz CHKLHIYSQWMLHG-UHFFFAOYSA-N 1 0 312.413 2.936 20 70 DFIDRO O[C@H](c1ccc(Cl)cc1)C1CC[NH+](CCn2ccnc2)CC1 ZINC000159814920 197366185 /nfs/dbraw/zinc/36/61/85/197366185.db2.gz DJYFQJUNJYCWFT-QGZVFWFLSA-N 1 0 319.836 2.982 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccn(C)c2)cc1 ZINC000159782210 197364393 /nfs/dbraw/zinc/36/43/93/197364393.db2.gz WXNVJWBKRKWYAW-ZDUSSCGKSA-N 1 0 306.431 2.670 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccn(C)c2)cc1 ZINC000159782067 197364515 /nfs/dbraw/zinc/36/45/15/197364515.db2.gz WXNVJWBKRKWYAW-CYBMUJFWSA-N 1 0 306.431 2.670 20 70 DFIDRO CC[NH+]1CCC(NC(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000159489215 197358016 /nfs/dbraw/zinc/35/80/16/197358016.db2.gz LMKFDJVBJCNITQ-UHFFFAOYSA-N 1 0 316.232 2.790 20 70 DFIDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159539831 197360777 /nfs/dbraw/zinc/36/07/77/197360777.db2.gz HKUGBZULVIRNOW-GJZGRUSLSA-N 1 0 304.434 2.789 20 70 DFIDRO CCC[C@H](C(=O)NCc1ccccc1OC(F)F)[NH+](C)C ZINC000159504689 197358718 /nfs/dbraw/zinc/35/87/18/197358718.db2.gz IISQAUCFMCHFOI-GFCCVEGCSA-N 1 0 300.349 2.635 20 70 DFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000159442755 197354086 /nfs/dbraw/zinc/35/40/86/197354086.db2.gz WLHQSFUMBXUNJY-BDAKNGLRSA-N 1 0 305.205 2.633 20 70 DFIDRO C[C@@H](CNC(=O)CCc1ccc(F)cc1F)C[NH+]1CCCC1 ZINC000159379710 197349465 /nfs/dbraw/zinc/34/94/65/197349465.db2.gz OVWAEXQRMNLHFU-ZDUSSCGKSA-N 1 0 310.388 2.746 20 70 DFIDRO COC[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)C(C)C ZINC000160752992 285407967 /nfs/dbraw/zinc/40/79/67/285407967.db2.gz WRPWOHSYQFZJBZ-IRXDYDNUSA-N 1 0 304.434 2.611 20 70 DFIDRO CCCN(C(=O)c1ccc(C[NH3+])o1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000160631017 542723460 /nfs/dbraw/zinc/72/34/60/542723460.db2.gz IOBUAVYULCERBE-HUUCEWRRSA-N 1 0 308.422 2.794 20 70 DFIDRO C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000159527263 542717933 /nfs/dbraw/zinc/71/79/33/542717933.db2.gz PEEVHHUDSDONHE-HWPZZCPQSA-N 1 0 302.349 2.931 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]([NH3+])CC(C)C ZINC000159450828 542718091 /nfs/dbraw/zinc/71/80/91/542718091.db2.gz BXSGZCQVYWNJBU-GLQYFDAESA-N 1 0 312.841 2.906 20 70 DFIDRO COC(C)(C)C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000160225502 542721654 /nfs/dbraw/zinc/72/16/54/542721654.db2.gz MJNLHTYNDBZGJH-JTQLQIEISA-N 1 0 322.232 2.748 20 70 DFIDRO CN(C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1F ZINC000161264944 542727752 /nfs/dbraw/zinc/72/77/52/542727752.db2.gz FJIIGEPZOXYHFZ-MRXNPFEDSA-N 1 0 302.393 2.755 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)C1 ZINC000161397888 542729731 /nfs/dbraw/zinc/72/97/31/542729731.db2.gz FQESAPQPALFMRQ-KGLIPLIRSA-N 1 0 308.809 2.689 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccccc1F ZINC000160531801 542723846 /nfs/dbraw/zinc/72/38/46/542723846.db2.gz ACJFVLKWOJWWFR-MRXNPFEDSA-N 1 0 306.425 2.995 20 70 DFIDRO CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C1CC1)c1ccccc1 ZINC000160746502 542724596 /nfs/dbraw/zinc/72/45/96/542724596.db2.gz WBMLNQIIDFMAIC-JLSDUUJJSA-N 1 0 318.461 2.735 20 70 DFIDRO Cc1cc2occ(CC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c2cc1C ZINC000160929547 542725106 /nfs/dbraw/zinc/72/51/06/542725106.db2.gz KOJWDVFGNYMQAU-LSDHHAIUSA-N 1 0 300.402 2.978 20 70 DFIDRO Cc1cc(C(=O)CCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(C)s1 ZINC000160934581 542726111 /nfs/dbraw/zinc/72/61/11/542726111.db2.gz RKGPPGFVOWUGOY-STQMWFEESA-N 1 0 308.447 2.714 20 70 DFIDRO CC(C)c1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000161078063 542726707 /nfs/dbraw/zinc/72/67/07/542726707.db2.gz APWDJRRYGSZWQT-UHFFFAOYSA-N 1 0 310.401 2.562 20 70 DFIDRO O=C(NCCC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000217268416 542876162 /nfs/dbraw/zinc/87/61/62/542876162.db2.gz FMSCKGXUKZGXOF-UHFFFAOYSA-N 1 0 311.223 2.569 20 70 DFIDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000217224097 542876635 /nfs/dbraw/zinc/87/66/35/542876635.db2.gz KPYHFUJXYYGMMA-ZACQAIPSSA-N 1 0 313.482 2.691 20 70 DFIDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2C#N)C1)c1cnccn1 ZINC000159477304 145219603 /nfs/dbraw/zinc/21/96/03/145219603.db2.gz LDWOTXXSRHIUTI-ZBFHGGJFSA-N 1 0 307.401 2.668 20 70 DFIDRO Cn1ccnc1C[NH2+]CCc1ccc(Br)s1 ZINC000218239275 146000421 /nfs/dbraw/zinc/00/04/21/146000421.db2.gz VVUDZKBBWJNPBJ-UHFFFAOYSA-N 1 0 300.225 2.576 20 70 DFIDRO COc1cccc2c1CC[C@H]2NC(=O)N(CC[NH+](C)C)C(C)C ZINC000159662460 267530734 /nfs/dbraw/zinc/53/07/34/267530734.db2.gz PRFNTJJYRIJHLE-MRXNPFEDSA-N 1 0 319.449 2.664 20 70 DFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc(OC2CCCCC2)c1 ZINC000160217104 267537874 /nfs/dbraw/zinc/53/78/74/267537874.db2.gz GQXLTAWIKJCVGP-HNNXBMFYSA-N 1 0 302.418 2.961 20 70 DFIDRO CCC(CC)(C[NH2+]Cc1nccn1C)NC(=O)OC(C)(C)C ZINC000217699114 268138750 /nfs/dbraw/zinc/13/87/50/268138750.db2.gz JMNNDEVFDYIJII-UHFFFAOYSA-N 1 0 310.442 2.593 20 70 DFIDRO CC(=O)Nc1ccccc1C[NH2+]CCN(C)C(=O)OC(C)(C)C ZINC000160384281 425980808 /nfs/dbraw/zinc/98/08/08/425980808.db2.gz PXPYSIQBKHZAQX-UHFFFAOYSA-N 1 0 321.421 2.602 20 70 DFIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cccc(OC)c1 ZINC000160353758 425980863 /nfs/dbraw/zinc/98/08/63/425980863.db2.gz VRMOHRMMTFUXPP-GOEBONIOSA-N 1 0 300.406 2.651 20 70 DFIDRO Cc1cccc(C)c1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000160415401 425981749 /nfs/dbraw/zinc/98/17/49/425981749.db2.gz URDDLWMXGJDSNI-CQSZACIVSA-N 1 0 318.442 2.802 20 70 DFIDRO Cc1cc(N2CCC[C@H]2C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000160441796 425983148 /nfs/dbraw/zinc/98/31/48/425983148.db2.gz QXUALNUMFIRJKZ-AWEZNQCLSA-N 1 0 304.394 2.753 20 70 DFIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(N(C)C)cc1 ZINC000160442758 425983396 /nfs/dbraw/zinc/98/33/96/425983396.db2.gz YGWAFFIVAKHVEC-NVXWUHKLSA-N 1 0 313.449 2.708 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000160506990 425985139 /nfs/dbraw/zinc/98/51/39/425985139.db2.gz ZFFJAPIJKYHHAQ-UHFFFAOYSA-N 1 0 318.339 2.718 20 70 DFIDRO Cn1cc(C[NH2+][C@H]2CCOC(C)(C)C2)c(-c2ccncc2)n1 ZINC000160513642 425985290 /nfs/dbraw/zinc/98/52/90/425985290.db2.gz BLHXYXLGITVRLI-HNNXBMFYSA-N 1 0 300.406 2.529 20 70 DFIDRO Cc1cncc(/C=C/C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160545433 425985962 /nfs/dbraw/zinc/98/59/62/425985962.db2.gz OLDIVRAKKZGJMX-DKRLNXSXSA-N 1 0 301.434 2.640 20 70 DFIDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160538374 425986269 /nfs/dbraw/zinc/98/62/69/425986269.db2.gz BQFTXGLWQDAIAG-QMMMGPOBSA-N 1 0 323.384 2.904 20 70 DFIDRO C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160543759 425986303 /nfs/dbraw/zinc/98/63/03/425986303.db2.gz MTMIZICITRTYMU-FRQCXROJSA-N 1 0 322.493 2.793 20 70 DFIDRO CCC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(OC)cc1 ZINC000160532042 425986598 /nfs/dbraw/zinc/98/65/98/425986598.db2.gz JNOQOYODXGCOMT-CYBMUJFWSA-N 1 0 318.339 2.805 20 70 DFIDRO COc1cc(OC)c(C[NH2+][C@@H]2CCOC(C)(C)C2)c(OC)c1 ZINC000160551425 425986690 /nfs/dbraw/zinc/98/66/90/425986690.db2.gz HYBAIFMNMUODAW-GFCCVEGCSA-N 1 0 309.406 2.760 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](Cc1cccc(C)c1)C1CC1)CC2 ZINC000160546060 425986763 /nfs/dbraw/zinc/98/67/63/425986763.db2.gz HMFFHUDMZNNYSF-ZWKOTPCHSA-N 1 0 310.445 2.821 20 70 DFIDRO COCC[NH2+]CC(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000160559879 425987293 /nfs/dbraw/zinc/98/72/93/425987293.db2.gz ORMONORQXVXIMC-HNNXBMFYSA-N 1 0 312.841 2.779 20 70 DFIDRO O=C(NCC[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000160569266 425988052 /nfs/dbraw/zinc/98/80/52/425988052.db2.gz NTXHINVBIMCARE-ZIAGYGMSSA-N 1 0 308.372 2.670 20 70 DFIDRO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1NC(C)=O ZINC000160591719 425988549 /nfs/dbraw/zinc/98/85/49/425988549.db2.gz OFNIFZVBCSYNIE-PVUWLOKVSA-N 1 0 320.433 2.855 20 70 DFIDRO COc1ccccc1-c1nnc(CN2CCS[C@H](C)C2)o1 ZINC000160586494 425989146 /nfs/dbraw/zinc/98/91/46/425989146.db2.gz KHWJFPPHPOMASK-LLVKDONJSA-N 1 0 305.403 2.683 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000160628727 425989450 /nfs/dbraw/zinc/98/94/50/425989450.db2.gz NAWNXOCJOMRQCU-BFHYXJOUSA-N 1 0 312.335 2.629 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)C1 ZINC000160611746 425989724 /nfs/dbraw/zinc/98/97/24/425989724.db2.gz HHKWPFNLHRQFPX-SJLPKXTDSA-N 1 0 310.397 2.627 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](Oc2ccccc2)c2ccccc2)C1 ZINC000160612106 425989984 /nfs/dbraw/zinc/98/99/84/425989984.db2.gz HHKWPFNLHRQFPX-WMZOPIPTSA-N 1 0 310.397 2.627 20 70 DFIDRO CC(C)(C)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000160632280 425991495 /nfs/dbraw/zinc/99/14/95/425991495.db2.gz WDFYSPHJXJBCAL-ZDUSSCGKSA-N 1 0 324.490 2.622 20 70 DFIDRO CCn1cc(C2CC[NH+](CCC(=O)OC(C)(C)C)CC2)cn1 ZINC000160635674 425991521 /nfs/dbraw/zinc/99/15/21/425991521.db2.gz QFXKKLYHMAQCLL-UHFFFAOYSA-N 1 0 307.438 2.814 20 70 DFIDRO C[NH+](C)Cc1cccc(CNC(=O)NC[C@]2(C)CCCS2)c1 ZINC000160639182 425991549 /nfs/dbraw/zinc/99/15/49/425991549.db2.gz CGOORYUDMLQOEM-KRWDZBQOSA-N 1 0 321.490 2.833 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)CCOc2ccccc2-c2ccccc2)C1 ZINC000160694340 425992520 /nfs/dbraw/zinc/99/25/20/425992520.db2.gz MTAYVZCEUUWXQU-QGZVFWFLSA-N 1 0 324.424 2.943 20 70 DFIDRO C[NH2+]C[C@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000160692112 425992527 /nfs/dbraw/zinc/99/25/27/425992527.db2.gz AOWCVJZEIILRJP-KWQFWETISA-N 1 0 308.731 2.915 20 70 DFIDRO CC1(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000160723537 425993022 /nfs/dbraw/zinc/99/30/22/425993022.db2.gz OADMHCLVAWRCNV-KRWDZBQOSA-N 1 0 315.461 2.793 20 70 DFIDRO CSCC[C@@H](C)N(C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160855645 425999388 /nfs/dbraw/zinc/99/93/88/425999388.db2.gz XAQNCWKDGWRGHV-KGLIPLIRSA-N 1 0 313.511 2.786 20 70 DFIDRO COc1cc(C)cc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000160906679 426000361 /nfs/dbraw/zinc/00/03/61/426000361.db2.gz CKODOKGUKYZQJM-CVEARBPZSA-N 1 0 319.449 2.676 20 70 DFIDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000160903652 426000398 /nfs/dbraw/zinc/00/03/98/426000398.db2.gz NRDMSMLHTADGJF-OAHLLOKOSA-N 1 0 312.373 2.924 20 70 DFIDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000160903087 426000897 /nfs/dbraw/zinc/00/08/97/426000897.db2.gz KYTRSERXVQRLHK-OAHLLOKOSA-N 1 0 312.373 2.924 20 70 DFIDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC(=O)NC(C)C)c1 ZINC000160916685 426001546 /nfs/dbraw/zinc/00/15/46/426001546.db2.gz CQXFPRXHRYNQCS-NSHDSACASA-N 1 0 300.349 2.772 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)CCCOc2ccccc2)CC1 ZINC000160993051 426004689 /nfs/dbraw/zinc/00/46/89/426004689.db2.gz VUVVQZYTUWVENW-UHFFFAOYSA-N 1 0 304.434 2.694 20 70 DFIDRO COc1ccccc1C[C@@H](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159437862 425960147 /nfs/dbraw/zinc/96/01/47/425960147.db2.gz FIMKAZUKJOKYDJ-OIISXLGYSA-N 1 0 316.445 2.617 20 70 DFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000159551741 425962949 /nfs/dbraw/zinc/96/29/49/425962949.db2.gz IHUHSGYFXHKZIJ-YPMHNXCESA-N 1 0 307.463 2.887 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NC2CCC(C(F)(F)F)CC2)CC1 ZINC000159580572 425963016 /nfs/dbraw/zinc/96/30/16/425963016.db2.gz BAJXFQCDSUPDEI-UHFFFAOYSA-N 1 0 321.387 2.845 20 70 DFIDRO Cc1c(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)cnn1C ZINC000159580717 425963556 /nfs/dbraw/zinc/96/35/56/425963556.db2.gz SAXVPQGGKZRRGB-MRXNPFEDSA-N 1 0 302.422 2.638 20 70 DFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000159595708 425964235 /nfs/dbraw/zinc/96/42/35/425964235.db2.gz ZDDDSKHOCMXLEW-WDEREUQCSA-N 1 0 321.471 2.957 20 70 DFIDRO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159615897 425964388 /nfs/dbraw/zinc/96/43/88/425964388.db2.gz SYSZCIUPEHPDCT-CABZTGNLSA-N 1 0 322.796 2.695 20 70 DFIDRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000159642757 425964737 /nfs/dbraw/zinc/96/47/37/425964737.db2.gz OFNLRACEUZNUOL-UAGQMJEPSA-N 1 0 305.491 2.777 20 70 DFIDRO COc1ccc2oc(C[N@@H+]3C[C@H](C(N)=O)CC[C@@H]3C)cc2c1 ZINC000159704249 425965164 /nfs/dbraw/zinc/96/51/64/425965164.db2.gz CJAPJXDYHDGSMQ-NWDGAFQWSA-N 1 0 302.374 2.527 20 70 DFIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000159689683 425965269 /nfs/dbraw/zinc/96/52/69/425965269.db2.gz HMIRHFACBSITSC-DGCLKSJQSA-N 1 0 304.287 2.687 20 70 DFIDRO CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159813711 425967657 /nfs/dbraw/zinc/96/76/57/425967657.db2.gz HFWVQRDPAMFPTE-KRWDZBQOSA-N 1 0 303.450 2.745 20 70 DFIDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159764672 425967833 /nfs/dbraw/zinc/96/78/33/425967833.db2.gz XHXOXOZQGSKMQR-IAGOWNOFSA-N 1 0 324.509 2.897 20 70 DFIDRO Cc1csc(=O)n1CC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159823200 425968547 /nfs/dbraw/zinc/96/85/47/425968547.db2.gz GSOIMTMCMCJQCJ-HNNXBMFYSA-N 1 0 303.431 2.759 20 70 DFIDRO Cc1ccc(C(C)C)c(OCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159860677 425968944 /nfs/dbraw/zinc/96/89/44/425968944.db2.gz DCUQJSFYEFXNLB-IYBDPMFKSA-N 1 0 316.445 2.850 20 70 DFIDRO Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000159845204 425969093 /nfs/dbraw/zinc/96/90/93/425969093.db2.gz NZECFTNNICQBDY-IFXJQAMLSA-N 1 0 312.461 2.919 20 70 DFIDRO CN(C(=O)c1cccc(C(F)(F)F)c1F)[C@@H](C[NH3+])C1CC1 ZINC000159829422 425969162 /nfs/dbraw/zinc/96/91/62/425969162.db2.gz BVIRJNXYPITKRW-NSHDSACASA-N 1 0 304.287 2.654 20 70 DFIDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cnns3)c2C1 ZINC000159932789 425970050 /nfs/dbraw/zinc/97/00/50/425970050.db2.gz YFJXISNVUOENLE-UHFFFAOYSA-N 1 0 302.403 2.762 20 70 DFIDRO CC[C@H](C)Oc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159974974 425971561 /nfs/dbraw/zinc/97/15/61/425971561.db2.gz XPSOLBKFRPGUND-CWRNSKLLSA-N 1 0 302.418 2.830 20 70 DFIDRO CC(C)([NH3+])CNC(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000159962035 425971784 /nfs/dbraw/zinc/97/17/84/425971784.db2.gz BASSLRVDIPBFSO-UHFFFAOYSA-N 1 0 306.450 2.997 20 70 DFIDRO CC(C)[NH+](CCS[C@H](C)C(=O)Nc1ncccn1)C(C)C ZINC000161015280 426005399 /nfs/dbraw/zinc/00/53/99/426005399.db2.gz XFVKTRCANWOUCU-CYBMUJFWSA-N 1 0 310.467 2.656 20 70 DFIDRO COc1c(CNCc2cccn2CCC(C)C)c(C)nn1C ZINC000160135672 425975622 /nfs/dbraw/zinc/97/56/22/425975622.db2.gz IKFQSRLNGBVRCX-UHFFFAOYSA-N 1 0 304.438 2.875 20 70 DFIDRO O=C(Nc1ccc(F)cc1)C1CC[NH+](CCOCC2CC2)CC1 ZINC000160225333 425977389 /nfs/dbraw/zinc/97/73/89/425977389.db2.gz AOJKAAHYKJCOSR-UHFFFAOYSA-N 1 0 320.408 2.903 20 70 DFIDRO COc1cc(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)ccc1C ZINC000160317435 425979316 /nfs/dbraw/zinc/97/93/16/425979316.db2.gz WCDXZNXPNBVSRB-IKGGRYGDSA-N 1 0 316.445 2.583 20 70 DFIDRO CCC[C@@H](C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[NH+](C)C ZINC000161393824 426022480 /nfs/dbraw/zinc/02/24/80/426022480.db2.gz WMKHIFWTKKGZFO-INIZCTEOSA-N 1 0 317.433 2.591 20 70 DFIDRO c1cc2c(cc1C[NH2+]C1CCC3(CC1)OCCO3)OCCCO2 ZINC000161418680 426022839 /nfs/dbraw/zinc/02/28/39/426022839.db2.gz LHKXQACHGUMLHW-UHFFFAOYSA-N 1 0 319.401 2.623 20 70 DFIDRO CCC[N@@H+](Cc1ccc(CO)o1)C[C@@H]1COc2ccccc2O1 ZINC000161421337 426023538 /nfs/dbraw/zinc/02/35/38/426023538.db2.gz HLKCOLYICCJQKM-MRXNPFEDSA-N 1 0 317.385 2.824 20 70 DFIDRO CC1CC[NH+](C2CCC(NC(=O)c3cscn3)CC2)CC1 ZINC000161500099 426026429 /nfs/dbraw/zinc/02/64/29/426026429.db2.gz ZUVSOWDISNTGAD-UHFFFAOYSA-N 1 0 307.463 2.916 20 70 DFIDRO CC[C@H]1CCCN(C(C)(C)C[NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161483987 426026784 /nfs/dbraw/zinc/02/67/84/426026784.db2.gz PXQDDNSAFQSMCD-AOCRQIFASA-N 1 0 323.525 2.924 20 70 DFIDRO COC(C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1)OC ZINC000161509082 426027335 /nfs/dbraw/zinc/02/73/35/426027335.db2.gz AUCIOUNQJFFMEH-SJORKVTESA-N 1 0 307.434 2.974 20 70 DFIDRO CC(C)(C)Cc1cc(NC(=O)[C@H]([NH3+])Cc2ccccc2)n[nH]1 ZINC000161048753 426006465 /nfs/dbraw/zinc/00/64/65/426006465.db2.gz VOSCZMGSGGSJQR-CQSZACIVSA-N 1 0 300.406 2.507 20 70 DFIDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000161100271 426008563 /nfs/dbraw/zinc/00/85/63/426008563.db2.gz XXSSJXBVZSNGTD-ROUUACIJSA-N 1 0 316.445 2.579 20 70 DFIDRO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161119609 426009194 /nfs/dbraw/zinc/00/91/94/426009194.db2.gz JCMVBUMSOVSTGU-GPMSIDNRSA-N 1 0 316.445 2.949 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)COc2c(C)cccc2C)CC1 ZINC000161137026 426010477 /nfs/dbraw/zinc/01/04/77/426010477.db2.gz WVVJYJGISZVAAC-UHFFFAOYSA-N 1 0 304.434 2.530 20 70 DFIDRO C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)C1CC1 ZINC000161155283 426011062 /nfs/dbraw/zinc/01/10/62/426011062.db2.gz TWVAODVTNJCVPB-IVMMDQJWSA-N 1 0 308.372 2.525 20 70 DFIDRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1OC ZINC000161204034 426012632 /nfs/dbraw/zinc/01/26/32/426012632.db2.gz KQVGBXMOLRNHJE-IJEWVQPXSA-N 1 0 323.433 2.796 20 70 DFIDRO CC(C)c1ncc(Cl)c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)n1 ZINC000161184175 426012916 /nfs/dbraw/zinc/01/29/16/426012916.db2.gz AMDGLPDZQSIACO-YPMHNXCESA-N 1 0 324.856 2.712 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000161241370 426015447 /nfs/dbraw/zinc/01/54/47/426015447.db2.gz AJROJDOYXHXOPA-XJKSGUPXSA-N 1 0 322.424 2.879 20 70 DFIDRO CCn1cnnc1[C@@H]1CCCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000161272625 426015843 /nfs/dbraw/zinc/01/58/43/426015843.db2.gz ZLKCANUWTQDYQB-CYBMUJFWSA-N 1 0 317.437 2.963 20 70 DFIDRO C=CCN(CC=C)[C@@H](C[NH2+]C1CCC(NC(C)=O)CC1)C(C)C ZINC000161276369 426016358 /nfs/dbraw/zinc/01/63/58/426016358.db2.gz UVZZKRQQGQNWKO-ACBHZAAOSA-N 1 0 321.509 2.722 20 70 DFIDRO CCOC(=O)[C@H]1CCCCN1CC1=Cc2ccccc2OC1 ZINC000161261762 426016480 /nfs/dbraw/zinc/01/64/80/426016480.db2.gz OSUGTEPVTOKTJE-MRXNPFEDSA-N 1 0 301.386 2.880 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000161278258 426017465 /nfs/dbraw/zinc/01/74/65/426017465.db2.gz NSVASCCFNXUATI-AOCRQIFASA-N 1 0 315.461 2.550 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000161294480 426017597 /nfs/dbraw/zinc/01/75/97/426017597.db2.gz RTPUWOJNHITMQX-OFQRWUPVSA-N 1 0 306.475 2.780 20 70 DFIDRO CCC[C@@H](C(=O)NCCc1nc2ccccc2s1)[NH+](C)C ZINC000161306776 426018885 /nfs/dbraw/zinc/01/88/85/426018885.db2.gz XHQJFJPVQOAWRY-ZDUSSCGKSA-N 1 0 305.447 2.685 20 70 DFIDRO CCC[C@H](C(=O)NCCc1nc2ccccc2s1)[NH+](C)C ZINC000161306889 426019203 /nfs/dbraw/zinc/01/92/03/426019203.db2.gz XHQJFJPVQOAWRY-CYBMUJFWSA-N 1 0 305.447 2.685 20 70 DFIDRO CC(=O)NC1CCC([NH2+]CCCCN(C)c2ccccc2)CC1 ZINC000161343834 426019689 /nfs/dbraw/zinc/01/96/89/426019689.db2.gz NYWZCNQNWWAFML-UHFFFAOYSA-N 1 0 317.477 2.940 20 70 DFIDRO CCC(CC)c1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)on1 ZINC000161331644 426019986 /nfs/dbraw/zinc/01/99/86/426019986.db2.gz VFAVVEWWJUJXJM-GFCCVEGCSA-N 1 0 305.422 2.792 20 70 DFIDRO CCOC[C@H](O)C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000161332629 426020207 /nfs/dbraw/zinc/02/02/07/426020207.db2.gz JAEPDRJXNTZMHO-DGCLKSJQSA-N 1 0 321.339 2.676 20 70 DFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@](C)(O)CC ZINC000161331462 426020398 /nfs/dbraw/zinc/02/03/98/426020398.db2.gz KEKRYJSVEXIJGT-GOSISDBHSA-N 1 0 305.466 2.781 20 70 DFIDRO CN(C(=O)CCCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161366558 426020537 /nfs/dbraw/zinc/02/05/37/426020537.db2.gz DZHTZAWSNRZIFX-XYPWUTKMSA-N 1 0 302.418 2.587 20 70 DFIDRO CCC[C@H]([NH3+])C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000161375569 426021718 /nfs/dbraw/zinc/02/17/18/426021718.db2.gz DLJCNSWTSPDOJG-INIZCTEOSA-N 1 0 320.433 2.866 20 70 DFIDRO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccnc(Cl)c3)C2)n1 ZINC000216934052 426561270 /nfs/dbraw/zinc/56/12/70/426561270.db2.gz UDQJMXADSXCHBK-HNNXBMFYSA-N 1 0 319.840 2.856 20 70 DFIDRO CCOCC[N@@H+]1CCN(Cc2ccnc(Cl)c2)C[C@@H]1CC ZINC000216946262 426562439 /nfs/dbraw/zinc/56/24/39/426562439.db2.gz BPSZLKYYKZKUML-HNNXBMFYSA-N 1 0 311.857 2.668 20 70 DFIDRO C[C@H]1SCCN(C(=O)C2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000161182583 274636586 /nfs/dbraw/zinc/63/65/86/274636586.db2.gz NMAOSICJJWLCEF-CZUORRHYSA-N 1 0 304.459 2.691 20 70 DFIDRO O=C(Nc1ccc2c(c1)C(=O)CCC2)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000159602759 274997818 /nfs/dbraw/zinc/99/78/18/274997818.db2.gz MJJBVNICWYYYSO-GOSISDBHSA-N 1 0 320.392 2.859 20 70 DFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)NC1(c2cccc(OC)c2)CC1 ZINC000160234897 276335880 /nfs/dbraw/zinc/33/58/80/276335880.db2.gz VZXHELQVNDLTRU-AWEZNQCLSA-N 1 0 319.449 2.714 20 70 DFIDRO CC(C)N(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161230410 277536161 /nfs/dbraw/zinc/53/61/61/277536161.db2.gz WSRCHXZOBVFGQW-AWEZNQCLSA-N 1 0 304.438 2.657 20 70 DFIDRO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160676992 278146906 /nfs/dbraw/zinc/14/69/06/278146906.db2.gz NZRHNMWTDDQOGT-VYIWNADRSA-N 1 0 322.493 2.791 20 70 DFIDRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)[C@@H](O)c1ccc(F)cc1 ZINC000161496495 278334447 /nfs/dbraw/zinc/33/44/47/278334447.db2.gz CVSWEDOBVAKBHH-MLGOLLRUSA-N 1 0 309.381 2.523 20 70 DFIDRO C[C@H](C[NH2+][C@@H]1CCCc2c1cnn2C)N1CCc2ccccc2C1 ZINC000159837117 279349597 /nfs/dbraw/zinc/34/95/97/279349597.db2.gz CJWCPCPQENKLDE-DNVCBOLYSA-N 1 0 324.472 2.834 20 70 DFIDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(N2CCOCC2)cc1 ZINC000160440160 279484159 /nfs/dbraw/zinc/48/41/59/279484159.db2.gz LUVIBKMNBQXONP-WDYCEAGBSA-N 1 0 318.461 2.725 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000161149147 279497909 /nfs/dbraw/zinc/49/79/09/279497909.db2.gz MVZUCRYLUCCAQB-HUUCEWRRSA-N 1 0 322.399 2.916 20 70 DFIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000159506334 280283255 /nfs/dbraw/zinc/28/32/55/280283255.db2.gz QMCAUZXMCAPGJO-OAHLLOKOSA-N 1 0 319.449 2.506 20 70 DFIDRO COC[C@@H]([NH2+][C@H]1CCCN(c2ccccc2C#N)C1)C(C)C ZINC000159499002 292844686 /nfs/dbraw/zinc/84/46/86/292844686.db2.gz KQPPVXCAIQCXOV-DLBZAZTESA-N 1 0 301.434 2.788 20 70 DFIDRO CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159456876 295376913 /nfs/dbraw/zinc/37/69/13/295376913.db2.gz MDBCHSBKVJKPMK-ZBFHGGJFSA-N 1 0 304.438 2.516 20 70 DFIDRO Cc1c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cnn1CC(C)C ZINC000159491692 295377404 /nfs/dbraw/zinc/37/74/04/295377404.db2.gz JHDDFZZUZUMWHX-HNNXBMFYSA-N 1 0 320.481 2.699 20 70 DFIDRO CSc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)ccc1F ZINC000159481875 295377458 /nfs/dbraw/zinc/37/74/58/295377458.db2.gz CGZQKGXNMHHOQP-UHFFFAOYSA-N 1 0 308.422 2.715 20 70 DFIDRO CCC[C@@H](C(=O)NC[C@H](Nc1ccccc1)C(C)C)[NH+](C)C ZINC000159562264 295378289 /nfs/dbraw/zinc/37/82/89/295378289.db2.gz MKNWJVMCCYYGDI-IRXDYDNUSA-N 1 0 305.466 2.970 20 70 DFIDRO Cc1nn(C)cc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000159579822 295378779 /nfs/dbraw/zinc/37/87/79/295378779.db2.gz LMGLJVDDPGHRQS-MRXNPFEDSA-N 1 0 302.422 2.638 20 70 DFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc2c(c1)OCO2 ZINC000159679174 295380384 /nfs/dbraw/zinc/38/03/84/295380384.db2.gz FRDKPEHDXBPBHS-JSGCOSHPSA-N 1 0 302.374 2.618 20 70 DFIDRO CC[C@H](C)OCC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159727669 295380619 /nfs/dbraw/zinc/38/06/19/295380619.db2.gz SYPZOPCXEUTINF-WMZOPIPTSA-N 1 0 318.461 2.925 20 70 DFIDRO CC[C@@H](C)OCC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159727257 295380885 /nfs/dbraw/zinc/38/08/85/295380885.db2.gz SYPZOPCXEUTINF-SJLPKXTDSA-N 1 0 318.461 2.925 20 70 DFIDRO COCCC1(C(=O)NCc2ccc(C[NH+](C)C)cc2)CCCC1 ZINC000159711966 295380934 /nfs/dbraw/zinc/38/09/34/295380934.db2.gz KKUGPWJRJVLGDC-UHFFFAOYSA-N 1 0 318.461 2.961 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NC(C1CC1)C1CC1 ZINC000159798810 295381707 /nfs/dbraw/zinc/38/17/07/295381707.db2.gz XOIGXQPQXBXJFM-UHFFFAOYSA-N 1 0 321.490 2.701 20 70 DFIDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159767240 295381792 /nfs/dbraw/zinc/38/17/92/295381792.db2.gz UZTWEKDDWFNOAK-BBRMVZONSA-N 1 0 322.405 2.975 20 70 DFIDRO Cc1cccc([C@H](C)NC(=O)C[N@H+](C)[C@@H]2CCSC2)c1C ZINC000160094430 295386412 /nfs/dbraw/zinc/38/64/12/295386412.db2.gz INPRQCNYJSBXHE-LSDHHAIUSA-N 1 0 306.475 2.918 20 70 DFIDRO CCSCC[C@H](C)[NH2+]C[C@H](O)COc1ccccc1F ZINC000160108325 295386579 /nfs/dbraw/zinc/38/65/79/295386579.db2.gz QJZJSNRXNIZADM-STQMWFEESA-N 1 0 301.427 2.687 20 70 DFIDRO CCSCC[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1F ZINC000160108171 295386643 /nfs/dbraw/zinc/38/66/43/295386643.db2.gz QJZJSNRXNIZADM-OLZOCXBDSA-N 1 0 301.427 2.687 20 70 DFIDRO Cc1cccc([C@@H]2CCC[N@H+]2CCC(=O)N2CCC[C@@H]2C)n1 ZINC000160140240 295386995 /nfs/dbraw/zinc/38/69/95/295386995.db2.gz FASVAIRUKNNCEB-RDJZCZTQSA-N 1 0 301.434 2.928 20 70 DFIDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCc3cccc(F)c3C2)C1 ZINC000160175819 295387316 /nfs/dbraw/zinc/38/73/16/295387316.db2.gz SEJKPYPRCQQHFJ-CABCVRRESA-N 1 0 319.424 2.766 20 70 DFIDRO CCCCn1ncc(NC(=O)NCC[N@H+](CC)C2CC2)c1C ZINC000160150403 295387382 /nfs/dbraw/zinc/38/73/82/295387382.db2.gz QOPZYXTZVPTCQN-UHFFFAOYSA-N 1 0 307.442 2.597 20 70 DFIDRO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC000160259154 295388961 /nfs/dbraw/zinc/38/89/61/295388961.db2.gz SYBWVKLRKZPKFV-CYBMUJFWSA-N 1 0 317.408 2.698 20 70 DFIDRO COCC(C)(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000160386456 295390558 /nfs/dbraw/zinc/39/05/58/295390558.db2.gz WGTKCMIHAKXKES-CYBMUJFWSA-N 1 0 310.463 2.674 20 70 DFIDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160527654 295392357 /nfs/dbraw/zinc/39/23/57/295392357.db2.gz CQJHACJNMUDTCN-YMTOWFKASA-N 1 0 318.314 2.717 20 70 DFIDRO CC(C)COC(=O)N1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000160547487 295392548 /nfs/dbraw/zinc/39/25/48/295392548.db2.gz NTVFIBAVUUDXBR-HNNXBMFYSA-N 1 0 312.454 2.791 20 70 DFIDRO COCC(C)(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000160558492 295392829 /nfs/dbraw/zinc/39/28/29/295392829.db2.gz ZSWQJIFWROTGIF-UHFFFAOYSA-N 1 0 318.461 2.961 20 70 DFIDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000160572685 295393078 /nfs/dbraw/zinc/39/30/78/295393078.db2.gz QCEMJSCREQTRAO-OAHLLOKOSA-N 1 0 319.405 2.753 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)C1 ZINC000160748425 295395143 /nfs/dbraw/zinc/39/51/43/295395143.db2.gz XRBDAUSWSRZHGQ-LFAOLKIESA-N 1 0 315.804 2.722 20 70 DFIDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)CC[NH2+]C(C)C)cc1 ZINC000161101465 295398648 /nfs/dbraw/zinc/39/86/48/295398648.db2.gz BVPMZNZIKXNNKD-MJGOQNOKSA-N 1 0 318.461 2.967 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N(C)CCC[NH+](C)C)c1 ZINC000161217134 295399947 /nfs/dbraw/zinc/39/99/47/295399947.db2.gz ADCNTZGUZHUNFT-UHFFFAOYSA-N 1 0 313.239 2.781 20 70 DFIDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(C)ccc2Br)C1 ZINC000161246178 295400281 /nfs/dbraw/zinc/40/02/81/295400281.db2.gz BYJVMQZGYQYRBE-NSHDSACASA-N 1 0 311.223 2.582 20 70 DFIDRO C[C@@H](C(=O)NC1(C#N)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000160844007 333369504 /nfs/dbraw/zinc/36/95/04/333369504.db2.gz GFHRPSSDTLJOQN-HNNXBMFYSA-N 1 0 311.429 2.502 20 70 DFIDRO CC(C)(C)Cc1cc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n[nH]1 ZINC000159437533 518697683 /nfs/dbraw/zinc/69/76/83/518697683.db2.gz HNYNWJNARBGYEQ-YHWZYXNKSA-N 1 0 304.438 2.858 20 70 DFIDRO CCC[N@H+](CC)CCNC(=O)Nc1ccn(CCC(C)C)n1 ZINC000160386893 521608695 /nfs/dbraw/zinc/60/86/95/521608695.db2.gz WVUCJJAJZQXOJV-UHFFFAOYSA-N 1 0 309.458 2.783 20 70 DFIDRO COc1cc(O)c(C[N@@H+]2CCOC[C@@H]2CC(C)C)cc1OC ZINC000160198492 522778447 /nfs/dbraw/zinc/77/84/47/522778447.db2.gz GIEHJWLNLKOYBC-AWEZNQCLSA-N 1 0 309.406 2.656 20 70 DFIDRO C[C@H](CCNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)[NH+]1CCCCC1 ZINC000159916897 524188090 /nfs/dbraw/zinc/18/80/90/524188090.db2.gz AFGWFKFTALNKCK-OIISXLGYSA-N 1 0 323.481 2.508 20 70 DFIDRO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCO ZINC000159682797 524825321 /nfs/dbraw/zinc/82/53/21/524825321.db2.gz BDVKIEIYWITDIT-NSHDSACASA-N 1 0 324.218 2.952 20 70 DFIDRO Cc1cc(C(=O)NC2CC[NH+](CCOCC3CC3)CC2)c(C)o1 ZINC000160384101 526264637 /nfs/dbraw/zinc/26/46/37/526264637.db2.gz KUXSOOGESCTDSM-UHFFFAOYSA-N 1 0 320.433 2.517 20 70 DFIDRO O=C(COc1ccccc1F)NCC[NH2+]C1CCCCCC1 ZINC000159673251 526991501 /nfs/dbraw/zinc/99/15/01/526991501.db2.gz ZFPFPHFZDYQDTL-UHFFFAOYSA-N 1 0 308.397 2.633 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc3c(s1)CCC3)CC2 ZINC000160449809 527198016 /nfs/dbraw/zinc/19/80/16/527198016.db2.gz MZXRDXZGWFLDDY-ZWNOBZJWSA-N 1 0 302.447 2.802 20 70 DFIDRO O=C(Cc1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159890566 527257801 /nfs/dbraw/zinc/25/78/01/527257801.db2.gz XFQYIGQOVGUOIZ-OKILXGFUSA-N 1 0 312.335 2.601 20 70 DFIDRO O=C(Nc1nccn1Cc1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000160828526 527524933 /nfs/dbraw/zinc/52/49/33/527524933.db2.gz YIFPNGKGCQEPDL-LBPRGKRZSA-N 1 0 318.808 2.523 20 70 DFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(O)cc2Cl)C1 ZINC000159563384 535129617 /nfs/dbraw/zinc/12/96/17/535129617.db2.gz QXCITWYESZXKNO-ZDUSSCGKSA-N 1 0 324.852 2.682 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1c3cc(F)ccc3C[C@@H]1C)CC2 ZINC000160582605 282119907 /nfs/dbraw/zinc/11/99/07/282119907.db2.gz TVXVYXCTIFXLDH-RMLVOYDJSA-N 1 0 300.381 2.564 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1c3cc(F)ccc3C[C@@H]1C)CC2 ZINC000160582481 282128288 /nfs/dbraw/zinc/12/82/88/282128288.db2.gz TVXVYXCTIFXLDH-NCAQKEMTSA-N 1 0 300.381 2.564 20 70 DFIDRO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CSCCS1)CC2 ZINC000159567776 186127512 /nfs/dbraw/zinc/12/75/12/186127512.db2.gz BUDXSSMWJOHUJL-ZBFHGGJFSA-N 1 0 309.500 2.991 20 70 DFIDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000159576428 186128374 /nfs/dbraw/zinc/12/83/74/186128374.db2.gz PTYQSJFEUHZUNL-RISCZKNCSA-N 1 0 314.476 2.604 20 70 DFIDRO COc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1F ZINC000159581969 186128726 /nfs/dbraw/zinc/12/87/26/186128726.db2.gz YBNXGSWITNOWBV-UHFFFAOYSA-N 1 0 308.397 2.873 20 70 DFIDRO CCC[C@H](C(=O)N[C@H]1CCCN(c2ccccc2)C1)[NH+](C)C ZINC000159603910 186130117 /nfs/dbraw/zinc/13/01/17/186130117.db2.gz WXRWHUZHFGYSRP-DOTOQJQBSA-N 1 0 303.450 2.502 20 70 DFIDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000159628729 186132084 /nfs/dbraw/zinc/13/20/84/186132084.db2.gz ZCMVKFOULIZUBX-OCCSQVGLSA-N 1 0 308.447 2.898 20 70 DFIDRO c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159682300 186135049 /nfs/dbraw/zinc/13/50/49/186135049.db2.gz RPADCYRHBCRQEH-OTWHNJEPSA-N 1 0 323.440 2.979 20 70 DFIDRO Nc1nc(-n2cccn2)cc(N2CCC[C@@H]2c2cccs2)[nH+]1 ZINC000159729089 186137772 /nfs/dbraw/zinc/13/77/72/186137772.db2.gz JMXRSCPTCRIFIA-LLVKDONJSA-N 1 0 312.402 2.648 20 70 DFIDRO COCCOC[C@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000159736890 186138801 /nfs/dbraw/zinc/13/88/01/186138801.db2.gz ZNRQERBPFHXZHP-AWEZNQCLSA-N 1 0 313.825 2.834 20 70 DFIDRO Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000159740983 398965872 /nfs/dbraw/zinc/96/58/72/398965872.db2.gz ODNOHFQWWRQMMI-LBPRGKRZSA-N 1 0 312.417 2.928 20 70 DFIDRO CC[NH+](CC)CCN(Cc1cccs1)c1ccc(C#N)nn1 ZINC000160469478 398970058 /nfs/dbraw/zinc/97/00/58/398970058.db2.gz IYUXSFOJDLLGDS-UHFFFAOYSA-N 1 0 315.446 2.758 20 70 DFIDRO Cc1ccc(-c2nc(CNC(=O)CC[NH2+]C(C)C)co2)cc1 ZINC000160405394 398970399 /nfs/dbraw/zinc/97/03/99/398970399.db2.gz WARKTJZDMASSHP-UHFFFAOYSA-N 1 0 301.390 2.654 20 70 DFIDRO C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160628705 398971741 /nfs/dbraw/zinc/97/17/41/398971741.db2.gz CGFCGDGIWHMYNA-BBRMVZONSA-N 1 0 317.433 2.579 20 70 DFIDRO C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160628422 398971190 /nfs/dbraw/zinc/97/11/90/398971190.db2.gz CGFCGDGIWHMYNA-XJKSGUPXSA-N 1 0 317.433 2.579 20 70 DFIDRO CC(C)[NH2+]CCC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000161450338 398977171 /nfs/dbraw/zinc/97/71/71/398977171.db2.gz HSAHRBNCBKCMTC-HNNXBMFYSA-N 1 0 320.408 2.635 20 70 DFIDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCc2ccc(F)cc2F)C1 ZINC000161500525 197500382 /nfs/dbraw/zinc/50/03/82/197500382.db2.gz DOKGVJJLUDGFPC-LSDHHAIUSA-N 1 0 310.388 2.886 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000161108847 197466020 /nfs/dbraw/zinc/46/60/20/197466020.db2.gz FWBZNVQDWDNUCM-GJZGRUSLSA-N 1 0 322.399 2.916 20 70 DFIDRO O=C(C[C@H]1CCC[NH2+]1)NC1(c2cccc(Br)c2)CC1 ZINC000160636897 197427447 /nfs/dbraw/zinc/42/74/47/197427447.db2.gz NLNDKTZZYSZRTL-CYBMUJFWSA-N 1 0 323.234 2.697 20 70 DFIDRO C[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@@H]1CCOC1 ZINC000160523168 197418906 /nfs/dbraw/zinc/41/89/06/197418906.db2.gz PESOUZGOZRXVME-DOTOQJQBSA-N 1 0 303.450 2.977 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(OCC(C)C)c(OC)c1 ZINC000160469480 197413336 /nfs/dbraw/zinc/41/33/36/197413336.db2.gz DXWVXORDUKEFKC-UHFFFAOYSA-N 1 0 322.449 2.977 20 70 DFIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(F)cc2cccnc21 ZINC000160264760 197396420 /nfs/dbraw/zinc/39/64/20/197396420.db2.gz UEENQZXEOPHQMQ-ZDUSSCGKSA-N 1 0 315.392 2.978 20 70 DFIDRO Cc1nc2cc(C(=O)N3CC[C@@H]([NH3+])C3)ccc2n1-c1ccccc1 ZINC000160262524 197396464 /nfs/dbraw/zinc/39/64/64/197396464.db2.gz LQJNCLVJZLUPOL-OAHLLOKOSA-N 1 0 320.396 2.507 20 70 DFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000160276308 197397406 /nfs/dbraw/zinc/39/74/06/197397406.db2.gz BWBBQVHCKFHWOX-SNVBAGLBSA-N 1 0 304.337 2.862 20 70 DFIDRO [NH3+][C@@H]1CCN(C(=O)CSc2cc(Cl)ccc2Cl)C1 ZINC000160239340 197394893 /nfs/dbraw/zinc/39/48/93/197394893.db2.gz AFVQAAJFOSCYBG-SECBINFHSA-N 1 0 305.230 2.645 20 70 DFIDRO CC[NH+](CC)[C@H](C)CNC(=O)NC1(c2cccc(OC)c2)CC1 ZINC000160235029 197394695 /nfs/dbraw/zinc/39/46/95/197394695.db2.gz VZXHELQVNDLTRU-CQSZACIVSA-N 1 0 319.449 2.714 20 70 DFIDRO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H](C)[NH3+])s2)cc1 ZINC000160128988 197387924 /nfs/dbraw/zinc/38/79/24/197387924.db2.gz ZRHCVRUKVQQJOI-UWVGGRQHSA-N 1 0 319.430 2.652 20 70 DFIDRO CC(C)Oc1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)cn1 ZINC000160105630 197386690 /nfs/dbraw/zinc/38/66/90/197386690.db2.gz KYRRCYARNRUIHR-HNNXBMFYSA-N 1 0 300.406 2.770 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)NCCOc1cccc(C(C)(C)C)c1 ZINC000160108633 197386105 /nfs/dbraw/zinc/38/61/05/197386105.db2.gz VVIPQLOQEJUSPN-OAHLLOKOSA-N 1 0 324.490 2.560 20 70 DFIDRO O=C(NCCOC1CCCCCC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000160087868 197384785 /nfs/dbraw/zinc/38/47/85/197384785.db2.gz GQFREEDKRDQWPV-SFHVURJKSA-N 1 0 316.445 2.557 20 70 DFIDRO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000159843514 197368241 /nfs/dbraw/zinc/36/82/41/197368241.db2.gz QAEWTQVLOLAKLZ-HNNXBMFYSA-N 1 0 301.365 2.617 20 70 DFIDRO CC[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1cnn(C)c1 ZINC000159849053 197368045 /nfs/dbraw/zinc/36/80/45/197368045.db2.gz TYVMOXRJUXZAIT-XJKSGUPXSA-N 1 0 318.490 2.969 20 70 DFIDRO Cc1cnn(-c2ccc(NC(=O)[C@@H]([NH3+])CC(C)C)cc2F)c1 ZINC000159774723 197363493 /nfs/dbraw/zinc/36/34/93/197363493.db2.gz OKAVTCNKXRMSBL-AWEZNQCLSA-N 1 0 304.369 2.632 20 70 DFIDRO Cc1nc(Cl)ccc1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000159777527 197363515 /nfs/dbraw/zinc/36/35/15/197363515.db2.gz APBZUWMRDUQSBX-LBPRGKRZSA-N 1 0 309.841 2.895 20 70 DFIDRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159526970 197360995 /nfs/dbraw/zinc/36/09/95/197360995.db2.gz ITDKKUNZSCCDDI-CYBMUJFWSA-N 1 0 317.433 2.918 20 70 DFIDRO CC(C)[C@H]([NH3+])C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000159510600 197359688 /nfs/dbraw/zinc/35/96/88/197359688.db2.gz XLJOBUBTQYJWEO-HOTGVXAUSA-N 1 0 324.852 2.595 20 70 DFIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cccc(OC(F)F)c1 ZINC000159511794 197359441 /nfs/dbraw/zinc/35/94/41/197359441.db2.gz WPPCUVJUIORDNN-GFCCVEGCSA-N 1 0 312.360 2.951 20 70 DFIDRO CC[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(OC)c(OC)c1 ZINC000159509979 197359326 /nfs/dbraw/zinc/35/93/26/197359326.db2.gz CFJKTTOXZHHSAO-HNNXBMFYSA-N 1 0 320.433 2.757 20 70 DFIDRO O=C(Nc1ccc(F)nc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000159478684 197356953 /nfs/dbraw/zinc/35/69/53/197356953.db2.gz FQZCUUOXEUGEHR-SWLSCSKDSA-N 1 0 318.396 2.701 20 70 DFIDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)CC[NH3+] ZINC000159456196 197355353 /nfs/dbraw/zinc/35/53/53/197355353.db2.gz HWNPKRNAIWXZCQ-LLVKDONJSA-N 1 0 303.431 2.953 20 70 DFIDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000159527010 542717655 /nfs/dbraw/zinc/71/76/55/542717655.db2.gz PEEVHHUDSDONHE-QLJPJBMISA-N 1 0 302.349 2.931 20 70 DFIDRO Cc1cc(Br)ccc1CNC(=O)CC[NH2+]C(C)C ZINC000159545045 542719034 /nfs/dbraw/zinc/71/90/34/542719034.db2.gz MFZVZAUHJNRVKG-UHFFFAOYSA-N 1 0 313.239 2.762 20 70 DFIDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)cc1 ZINC000159901433 542720054 /nfs/dbraw/zinc/72/00/54/542720054.db2.gz ZVFGRIMOKHXBLY-STQMWFEESA-N 1 0 313.463 2.600 20 70 DFIDRO CN(Cc1nc2cc(Br)ccc2[nH]1)C[C@H](O)C1CC1 ZINC000160068035 542720928 /nfs/dbraw/zinc/72/09/28/542720928.db2.gz XPYZIMKIOHWTTE-ZDUSSCGKSA-N 1 0 324.222 2.528 20 70 DFIDRO CC(C)OCC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000160196229 542721728 /nfs/dbraw/zinc/72/17/28/542721728.db2.gz UAOWHAXKSRVWEZ-LBPRGKRZSA-N 1 0 322.232 2.748 20 70 DFIDRO Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161217455 542727742 /nfs/dbraw/zinc/72/77/42/542727742.db2.gz NSYAFFKNCFAAEO-MNOVXSKESA-N 1 0 305.403 2.711 20 70 DFIDRO COc1ccccc1CC(C)(C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161264170 542727849 /nfs/dbraw/zinc/72/78/49/542727849.db2.gz MACOCHOLFLUNOV-LSDHHAIUSA-N 1 0 304.434 2.650 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2sccc2Br)C1 ZINC000161313328 542728935 /nfs/dbraw/zinc/72/89/35/542728935.db2.gz XRWJHDAVIPCPFF-SFYZADRCSA-N 1 0 303.225 2.510 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCCOc2ccc(F)cc2F)C1 ZINC000161299551 542728937 /nfs/dbraw/zinc/72/89/37/542728937.db2.gz WBAVHZHNIKQWEO-CHWSQXEVSA-N 1 0 312.360 2.510 20 70 DFIDRO CN(CCC[NH+]1CCCCC1)Cc1ccc([S@](C)=O)cc1 ZINC000161433254 542729333 /nfs/dbraw/zinc/72/93/33/542729333.db2.gz DSNJWYZHHZWMOO-OAQYLSRUSA-N 1 0 308.491 2.732 20 70 DFIDRO C[C@H](CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccncc1 ZINC000160615897 542723830 /nfs/dbraw/zinc/72/38/30/542723830.db2.gz NDDWZPUPNJWXBQ-CVEARBPZSA-N 1 0 301.434 2.520 20 70 DFIDRO Cc1nc2ccccc2c(C)c1CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160771678 542724513 /nfs/dbraw/zinc/72/45/13/542724513.db2.gz HYSVNDNOIBRCGO-GJZGRUSLSA-N 1 0 311.429 2.780 20 70 DFIDRO Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160866993 542725063 /nfs/dbraw/zinc/72/50/63/542725063.db2.gz HMTHIXQVXZNDLY-FRRDWIJNSA-N 1 0 310.825 2.802 20 70 DFIDRO Cc1cc2occ(CC(=O)N[C@H]3CCC[C@H]([NH3+])C3)c2cc1C ZINC000160929676 542725123 /nfs/dbraw/zinc/72/51/23/542725123.db2.gz KOJWDVFGNYMQAU-GJZGRUSLSA-N 1 0 300.402 2.978 20 70 DFIDRO Cc1cc2occ(CC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c2cc1C ZINC000160929934 542725662 /nfs/dbraw/zinc/72/56/62/542725662.db2.gz KOJWDVFGNYMQAU-CABCVRRESA-N 1 0 300.402 2.978 20 70 DFIDRO Cc1cc(OC(F)F)c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000161037902 542726051 /nfs/dbraw/zinc/72/60/51/542726051.db2.gz YVTTZIDZHBXELQ-IUCAKERBSA-N 1 0 304.362 2.658 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(Oc3ccccc3)ccn2)C1 ZINC000160983524 542726447 /nfs/dbraw/zinc/72/64/47/542726447.db2.gz LQKOVLFJKUBQKV-KBPBESRZSA-N 1 0 311.385 2.874 20 70 DFIDRO Cc1ccc(C(C)C)cc1OCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161157480 542726714 /nfs/dbraw/zinc/72/67/14/542726714.db2.gz LHTURUNXUJMNHX-JKSUJKDBSA-N 1 0 304.434 2.883 20 70 DFIDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2C#N)C1)c1cnn(C)c1 ZINC000159479444 145219768 /nfs/dbraw/zinc/21/97/68/145219768.db2.gz INEFRRHOVBCRRB-PBHICJAKSA-N 1 0 309.417 2.611 20 70 DFIDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2C#N)C1)c1cnn(C)c1 ZINC000159479069 145220185 /nfs/dbraw/zinc/22/01/85/145220185.db2.gz INEFRRHOVBCRRB-WMLDXEAASA-N 1 0 309.417 2.611 20 70 DFIDRO O=C(Cc1cccc2cccnc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000159831017 267531963 /nfs/dbraw/zinc/53/19/63/267531963.db2.gz OLOCXOHUIDTGOT-UHFFFAOYSA-N 1 0 323.440 2.768 20 70 DFIDRO O=C(N[C@@H](COCc1ccccc1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000159962099 267534235 /nfs/dbraw/zinc/53/42/35/267534235.db2.gz KDBJAGBJKAPJAR-MOPGFXCFSA-N 1 0 324.424 2.670 20 70 DFIDRO COCCN(CC[NH2+]Cc1occc1C)C(=O)OC(C)(C)C ZINC000218141611 268139796 /nfs/dbraw/zinc/13/97/96/268139796.db2.gz DGJFMJOVZXHPLO-UHFFFAOYSA-N 1 0 312.410 2.561 20 70 DFIDRO Cc1ccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000160388965 425980602 /nfs/dbraw/zinc/98/06/02/425980602.db2.gz CSIONTKXXFUDQX-UHFFFAOYSA-N 1 0 318.465 2.653 20 70 DFIDRO CSCCCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160386901 425980910 /nfs/dbraw/zinc/98/09/10/425980910.db2.gz VULRRWZQNYQYPG-HNNXBMFYSA-N 1 0 313.511 2.790 20 70 DFIDRO [NH3+][C@@H]1CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000160380816 425981054 /nfs/dbraw/zinc/98/10/54/425981054.db2.gz BZHVFVXGWJRYPU-LLVKDONJSA-N 1 0 306.207 2.530 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC000160404409 425981796 /nfs/dbraw/zinc/98/17/96/425981796.db2.gz NPSURGDZZICSME-CYBMUJFWSA-N 1 0 307.438 2.822 20 70 DFIDRO Cc1ccccc1N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160394099 425982248 /nfs/dbraw/zinc/98/22/48/425982248.db2.gz PFTZWMVTBNCPSU-UHFFFAOYSA-N 1 0 301.478 2.993 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCOc3ccc(C)cc31)CC2 ZINC000160445787 425982869 /nfs/dbraw/zinc/98/28/69/425982869.db2.gz XXMJMICHEXPTHT-GDBMZVCRSA-N 1 0 312.417 2.713 20 70 DFIDRO CCCC[C@H](COC)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160475087 425983776 /nfs/dbraw/zinc/98/37/76/425983776.db2.gz GTBBZGBLOMUFTJ-LJQANCHMSA-N 1 0 320.477 2.814 20 70 DFIDRO Cc1nc(Cl)cc(N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000160484725 425984104 /nfs/dbraw/zinc/98/41/04/425984104.db2.gz SDRKLPADGLFBII-MBNYWOFBSA-N 1 0 324.856 2.516 20 70 DFIDRO COC(=O)Cc1cccc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000160492972 425984316 /nfs/dbraw/zinc/98/43/16/425984316.db2.gz MEGCGENDVIZLLJ-IHRRRGAJSA-N 1 0 318.417 2.602 20 70 DFIDRO CC(=O)N(c1nc(C[NH2+][C@H]2CCOC(C)(C)C2)cs1)C1CC1 ZINC000160526865 425985068 /nfs/dbraw/zinc/98/50/68/425985068.db2.gz OEKVTNBJPLLXJU-LBPRGKRZSA-N 1 0 323.462 2.706 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000160535818 425986437 /nfs/dbraw/zinc/98/64/37/425986437.db2.gz BOIQULSBUMPHSY-CYBMUJFWSA-N 1 0 323.368 2.584 20 70 DFIDRO CN(Cc1cccn1C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160552919 425987077 /nfs/dbraw/zinc/98/70/77/425987077.db2.gz JFLWPIHOARCMTI-SFHVURJKSA-N 1 0 311.429 2.648 20 70 DFIDRO Cn1cc(C[NH2+][C@H]2CCOC(C)(C)C2)c(-c2cccnc2)n1 ZINC000160555982 425987489 /nfs/dbraw/zinc/98/74/89/425987489.db2.gz HFCLPWNIHISEDL-HNNXBMFYSA-N 1 0 300.406 2.529 20 70 DFIDRO O=C(NCC[NH+]1CCCCC1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000160568997 425987586 /nfs/dbraw/zinc/98/75/86/425987586.db2.gz NTXHINVBIMCARE-KGLIPLIRSA-N 1 0 308.372 2.670 20 70 DFIDRO O=C(Nc1ccc(OCC2CCOCC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000161034996 426005742 /nfs/dbraw/zinc/00/57/42/426005742.db2.gz GLTYCFDVGNVCJB-KRWDZBQOSA-N 1 0 318.417 2.573 20 70 DFIDRO COc1ccccc1-c1nnc(CN2CCS[C@@H](C)C2)o1 ZINC000160586619 425988689 /nfs/dbraw/zinc/98/86/89/425988689.db2.gz KHWJFPPHPOMASK-NSHDSACASA-N 1 0 305.403 2.683 20 70 DFIDRO O=C(CCCC1CCCCC1)NCC1CC[NH+](CCO)CC1 ZINC000160582518 425989245 /nfs/dbraw/zinc/98/92/45/425989245.db2.gz BQJWLADVASAEJZ-UHFFFAOYSA-N 1 0 310.482 2.558 20 70 DFIDRO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)O ZINC000160604133 425989672 /nfs/dbraw/zinc/98/96/72/425989672.db2.gz KOITUIXEDBGPPX-SNVBAGLBSA-N 1 0 318.339 2.783 20 70 DFIDRO Cc1ccc(C[C@H]([NH2+]CC(=O)NCC(F)(F)F)C2CC2)cc1 ZINC000160631892 425990638 /nfs/dbraw/zinc/99/06/38/425990638.db2.gz MACNZICNYNKQKP-AWEZNQCLSA-N 1 0 314.351 2.584 20 70 DFIDRO CC(C)Cn1cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cn1 ZINC000160634471 425990690 /nfs/dbraw/zinc/99/06/90/425990690.db2.gz KFKRKABDRCLLSY-UHFFFAOYSA-N 1 0 321.469 2.781 20 70 DFIDRO CC(C)(O)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000160657453 425990841 /nfs/dbraw/zinc/99/08/41/425990841.db2.gz XTUVYKSHQQLLSX-UHFFFAOYSA-N 1 0 314.832 2.804 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)C1 ZINC000160709590 425993345 /nfs/dbraw/zinc/99/33/45/425993345.db2.gz VDDHFFDMWIRVBX-LLVKDONJSA-N 1 0 317.216 2.583 20 70 DFIDRO Cc1c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cnn1C ZINC000160713134 425993355 /nfs/dbraw/zinc/99/33/55/425993355.db2.gz KCENPWPELNRMRE-SFHVURJKSA-N 1 0 313.401 2.741 20 70 DFIDRO Cc1nn(C)cc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000160711741 425993713 /nfs/dbraw/zinc/99/37/13/425993713.db2.gz BRZGSQLKGWEISJ-GOSISDBHSA-N 1 0 313.401 2.741 20 70 DFIDRO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000160731508 425994284 /nfs/dbraw/zinc/99/42/84/425994284.db2.gz BYQUFDXOCJQFPP-SWLSCSKDSA-N 1 0 310.401 2.513 20 70 DFIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000160731645 425994473 /nfs/dbraw/zinc/99/44/73/425994473.db2.gz BYQUFDXOCJQFPP-WFASDCNBSA-N 1 0 310.401 2.513 20 70 DFIDRO O[C@]12CCCC[C@@H]1C[N@H+](CCOCCOc1ccccc1)CC2 ZINC000160748566 425994790 /nfs/dbraw/zinc/99/47/90/425994790.db2.gz ZWWYTRJAVPYPFW-MJGOQNOKSA-N 1 0 319.445 2.709 20 70 DFIDRO CC[C@H](O)CCNC(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000160746690 425994813 /nfs/dbraw/zinc/99/48/13/425994813.db2.gz BVZOQTAULFGWDV-IRXDYDNUSA-N 1 0 321.465 2.530 20 70 DFIDRO CCc1ccc([C@H](CO)[NH2+]Cc2cnc3c(c2)c(C)nn3C)cc1 ZINC000160767938 425995521 /nfs/dbraw/zinc/99/55/21/425995521.db2.gz JPVYVSKIMKSESK-SFHVURJKSA-N 1 0 324.428 2.662 20 70 DFIDRO Cc1ccc([C@@H]2CSCCN2C(=O)C2CC[NH2+]CC2)cc1 ZINC000160770369 425995539 /nfs/dbraw/zinc/99/55/39/425995539.db2.gz SDNRLCCFWVTGAX-INIZCTEOSA-N 1 0 304.459 2.611 20 70 DFIDRO CC[C@@H]([NH2+]CCNC(=O)c1cccnc1)c1ccc(F)cc1 ZINC000160757392 425995619 /nfs/dbraw/zinc/99/56/19/425995619.db2.gz OOUFMFRVTBVMGV-MRXNPFEDSA-N 1 0 301.365 2.691 20 70 DFIDRO C[C@@]1(CNc2ccnc(C(N)=O)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000160796259 425996608 /nfs/dbraw/zinc/99/66/08/425996608.db2.gz HDVOYYXCBRVOCU-IBGZPJMESA-N 1 0 324.428 2.647 20 70 DFIDRO COC(C[N@H+](C)CCCc1cc(-c2ccccc2)no1)OC ZINC000160809552 425996837 /nfs/dbraw/zinc/99/68/37/425996837.db2.gz QGSFDHIEIFIQQP-UHFFFAOYSA-N 1 0 304.390 2.825 20 70 DFIDRO Cc1nc2ccccn2c1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000160796303 425996924 /nfs/dbraw/zinc/99/69/24/425996924.db2.gz IWLGXJZTEWVVMD-QGZVFWFLSA-N 1 0 312.461 2.951 20 70 DFIDRO CC[C@@H](C(=O)N1CCC(Nc2ccccc2F)CC1)[NH+](C)C ZINC000160814409 425997517 /nfs/dbraw/zinc/99/75/17/425997517.db2.gz RZIHOHLTHKEYKX-INIZCTEOSA-N 1 0 307.413 2.569 20 70 DFIDRO CC(C)[C@@H]([NH3+])C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000160862221 425999119 /nfs/dbraw/zinc/99/91/19/425999119.db2.gz ULRGXOJFEKVAIB-SZNDQCEHSA-N 1 0 310.463 2.656 20 70 DFIDRO C[C@@H]([NH3+])C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000160854411 425999522 /nfs/dbraw/zinc/99/95/22/425999522.db2.gz TXDKWAJVBBIBIN-GTJPDFRWSA-N 1 0 308.447 2.554 20 70 DFIDRO C[C@@H]([NH2+]CCOc1ccccc1Br)[C@@H]1CCOC1 ZINC000160905523 425999989 /nfs/dbraw/zinc/99/99/89/425999989.db2.gz VWTOOUVNDZQJSC-VXGBXAGGSA-N 1 0 314.223 2.843 20 70 DFIDRO CN(CCC1CC1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000160908602 426001336 /nfs/dbraw/zinc/00/13/36/426001336.db2.gz XMZOFFKRISQYHU-OAHLLOKOSA-N 1 0 305.422 2.858 20 70 DFIDRO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160930527 426002029 /nfs/dbraw/zinc/00/20/29/426002029.db2.gz NWGYDUNJCDLYRP-MJQMVNBJSA-N 1 0 322.493 2.793 20 70 DFIDRO CC[C@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(F)cc1 ZINC000159549073 425962909 /nfs/dbraw/zinc/96/29/09/425962909.db2.gz IRPUXALARKCBDP-HNNXBMFYSA-N 1 0 318.396 2.716 20 70 DFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000159577698 425962990 /nfs/dbraw/zinc/96/29/90/425962990.db2.gz KZTFYBFOOSWOGR-RDTXWAMCSA-N 1 0 309.413 2.834 20 70 DFIDRO CN(CC[NH+]1CCC(n2cccn2)CC1)Cc1ccc(F)cc1 ZINC000159574490 425963035 /nfs/dbraw/zinc/96/30/35/425963035.db2.gz PSOIZWQKUZUSOY-UHFFFAOYSA-N 1 0 316.424 2.791 20 70 DFIDRO CC(C)COc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000159571665 425963316 /nfs/dbraw/zinc/96/33/16/425963316.db2.gz UWUBYWISAIMIGD-HOCLYGCPSA-N 1 0 304.434 2.807 20 70 DFIDRO CC(C)n1nccc1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000159645268 425964360 /nfs/dbraw/zinc/96/43/60/425964360.db2.gz NMVBXMMABXWZBV-UHFFFAOYSA-N 1 0 306.454 2.658 20 70 DFIDRO CCCCC[N@H+](CCO)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159642114 425964457 /nfs/dbraw/zinc/96/44/57/425964457.db2.gz ZYEZQTTYOGBMQO-UHFFFAOYSA-N 1 0 312.498 2.756 20 70 DFIDRO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159616310 425964546 /nfs/dbraw/zinc/96/45/46/425964546.db2.gz SYSZCIUPEHPDCT-BXKDBHETSA-N 1 0 322.796 2.695 20 70 DFIDRO CC[C@H](Oc1cccc(C)c1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159685324 425965053 /nfs/dbraw/zinc/96/50/53/425965053.db2.gz JMRZXRKMFQKLGV-INIZCTEOSA-N 1 0 304.434 2.930 20 70 DFIDRO [NH3+]C1(CNC(=O)c2cnc(-c3ccccn3)s2)CCCCC1 ZINC000159675415 425965342 /nfs/dbraw/zinc/96/53/42/425965342.db2.gz KZESSXFVMJHBAN-UHFFFAOYSA-N 1 0 316.430 2.597 20 70 DFIDRO CN(C(=O)c1cc(C(F)(F)F)ccc1F)[C@@H](C[NH3+])C1CC1 ZINC000159809678 425968354 /nfs/dbraw/zinc/96/83/54/425968354.db2.gz XRPOZCHFBJWWOG-LBPRGKRZSA-N 1 0 304.287 2.654 20 70 DFIDRO O=C(Cc1ccc(Cl)c(Cl)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159887097 425970770 /nfs/dbraw/zinc/97/07/70/425970770.db2.gz NXJOHCWAXSEAMY-TXEJJXNPSA-N 1 0 313.228 2.889 20 70 DFIDRO O=C(N[C@H](COCc1ccccc1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000159962224 425972064 /nfs/dbraw/zinc/97/20/64/425972064.db2.gz KDBJAGBJKAPJAR-RTBURBONSA-N 1 0 324.424 2.670 20 70 DFIDRO CCC(C)(C)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160007929 425972402 /nfs/dbraw/zinc/97/24/02/425972402.db2.gz XYAXMFPKRRMYBE-GOEBONIOSA-N 1 0 303.450 2.995 20 70 DFIDRO Cc1nc2ccccn2c1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000160092043 425974612 /nfs/dbraw/zinc/97/46/12/425974612.db2.gz IFBACWPKLABSFC-UHFFFAOYSA-N 1 0 309.417 2.751 20 70 DFIDRO Cc1cnn([C@H]2CCC[N@H+](Cc3c(C)nc4ccccn43)C2)c1 ZINC000160115997 425974736 /nfs/dbraw/zinc/97/47/36/425974736.db2.gz IDBQLUSEUXVNHX-INIZCTEOSA-N 1 0 309.417 2.985 20 70 DFIDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCSC3)C2)c(F)c1 ZINC000160130127 425975212 /nfs/dbraw/zinc/97/52/12/425975212.db2.gz TVPKMEINXUADOS-ZIAGYGMSSA-N 1 0 305.422 2.761 20 70 DFIDRO COc1cccc(CCC[N@@H+]2CCC[C@@H](NC(=O)C(C)C)C2)c1 ZINC000160125606 425975417 /nfs/dbraw/zinc/97/54/17/425975417.db2.gz NDJJWSMQJCLOHD-QGZVFWFLSA-N 1 0 318.461 2.864 20 70 DFIDRO [NH3+]C[C@H]1CCCN1C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000160257934 425977217 /nfs/dbraw/zinc/97/72/17/425977217.db2.gz WWSDCAXZFCORFV-CHWSQXEVSA-N 1 0 300.324 2.672 20 70 DFIDRO O=C(c1cccc(OC2CCCC2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160226319 425977222 /nfs/dbraw/zinc/97/72/22/425977222.db2.gz FETRBMQPXWOEIF-IYBDPMFKSA-N 1 0 314.429 2.975 20 70 DFIDRO C[C@@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000160232190 425977645 /nfs/dbraw/zinc/97/76/45/425977645.db2.gz HDVCTJLFTJDFSS-XUWVNRHRSA-N 1 0 308.466 2.856 20 70 DFIDRO Cc1nc(CC[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cs1 ZINC000160263787 425978295 /nfs/dbraw/zinc/97/82/95/425978295.db2.gz DJIVOONQKWQGEL-GFCCVEGCSA-N 1 0 313.430 2.926 20 70 DFIDRO C[NH+](C)C1(CNC(=O)CC/C=C/c2ccccc2)CCOCC1 ZINC000160332860 425979011 /nfs/dbraw/zinc/97/90/11/425979011.db2.gz QDXDAAJZASTWAB-UXBLZVDNSA-N 1 0 316.445 2.707 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000160325208 425979849 /nfs/dbraw/zinc/97/98/49/425979849.db2.gz ILRVNKSGEZQUIM-GJZGRUSLSA-N 1 0 321.469 2.779 20 70 DFIDRO CCC[N@@H+](Cc1cnn(CC)c1)C[C@@H]1COc2ccccc2O1 ZINC000161415467 426023043 /nfs/dbraw/zinc/02/30/43/426023043.db2.gz NSSAHJQJAOGJEX-MRXNPFEDSA-N 1 0 315.417 2.955 20 70 DFIDRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000161411520 426023195 /nfs/dbraw/zinc/02/31/95/426023195.db2.gz RVTMZZSFYGSLBR-OAHLLOKOSA-N 1 0 312.417 2.613 20 70 DFIDRO CC(=O)NC1CCC([NH2+]CCCOc2ccccc2C)CC1 ZINC000161451461 426024147 /nfs/dbraw/zinc/02/41/47/426024147.db2.gz APDDKXBRAQWGMI-UHFFFAOYSA-N 1 0 304.434 2.801 20 70 DFIDRO CCS[C@@H]1CC[C@@H](N(C)C(=O)NCC[NH+](CC)CC)C1 ZINC000161486386 426026205 /nfs/dbraw/zinc/02/62/05/426026205.db2.gz PSBMRXKSOKQAPN-ZIAGYGMSSA-N 1 0 301.500 2.644 20 70 DFIDRO Cc1ccc(OCCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000161505188 426026279 /nfs/dbraw/zinc/02/62/79/426026279.db2.gz HCPYIVQVGADOLN-SJPCQFCGSA-N 1 0 316.445 2.814 20 70 DFIDRO CCS[C@@H]1CC[C@H](N(C)C(=O)NCC[NH+](CC)CC)C1 ZINC000161486515 426026335 /nfs/dbraw/zinc/02/63/35/426026335.db2.gz PSBMRXKSOKQAPN-UONOGXRCSA-N 1 0 301.500 2.644 20 70 DFIDRO [NH3+]C[C@H]1CCCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161490321 426026548 /nfs/dbraw/zinc/02/65/48/426026548.db2.gz ZIXDKDCTFVOCPW-LLVKDONJSA-N 1 0 301.203 2.759 20 70 DFIDRO [NH3+]C[C@H]1CCCCN1Cc1ccc(Br)c(F)c1 ZINC000161490603 426026938 /nfs/dbraw/zinc/02/69/38/426026938.db2.gz HVUMTSDLJLWLTL-LLVKDONJSA-N 1 0 301.203 2.901 20 70 DFIDRO CC[C@H]1CC[N@H+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)C1 ZINC000161509956 426027189 /nfs/dbraw/zinc/02/71/89/426027189.db2.gz WJWZMYKKRGFZTE-LBPRGKRZSA-N 1 0 314.385 2.869 20 70 DFIDRO CCNc1nc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cs1 ZINC000161134026 426010023 /nfs/dbraw/zinc/01/00/23/426010023.db2.gz LPXXQQQACBYZPW-UHFFFAOYSA-N 1 0 310.467 2.614 20 70 DFIDRO C[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccccc1F ZINC000161161727 426011688 /nfs/dbraw/zinc/01/16/88/426011688.db2.gz YKCDDOGAPBGNAH-AVOUXACISA-N 1 0 320.408 2.630 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC000161190724 426012443 /nfs/dbraw/zinc/01/24/43/426012443.db2.gz NYXCQWMZBKYWBT-ZBFHGGJFSA-N 1 0 304.434 2.788 20 70 DFIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000161230197 426013344 /nfs/dbraw/zinc/01/33/44/426013344.db2.gz QXKYNDLDWOXVEP-HNNXBMFYSA-N 1 0 319.424 2.942 20 70 DFIDRO CC(C)N(C)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161230530 426013370 /nfs/dbraw/zinc/01/33/70/426013370.db2.gz WSRCHXZOBVFGQW-CQSZACIVSA-N 1 0 304.438 2.657 20 70 DFIDRO COc1cc(C[NH+]2CCC(C)(O)CC2)ccc1OC(F)F ZINC000161234525 426014899 /nfs/dbraw/zinc/01/48/99/426014899.db2.gz OTKWBHPUPJSWIJ-UHFFFAOYSA-N 1 0 301.333 2.643 20 70 DFIDRO COCC(C)(C)C(=O)NC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000161256923 426015087 /nfs/dbraw/zinc/01/50/87/426015087.db2.gz BHKGRGPBXCYGDG-WBVHZDCISA-N 1 0 318.461 2.686 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000161241178 426015340 /nfs/dbraw/zinc/01/53/40/426015340.db2.gz AJROJDOYXHXOPA-BBRMVZONSA-N 1 0 322.424 2.879 20 70 DFIDRO Cc1ccc(C)c([C@H]2CN(C(=O)C[NH2+]CC3CC3)[C@H](C)CO2)c1 ZINC000161274636 426015734 /nfs/dbraw/zinc/01/57/34/426015734.db2.gz AGCWABKTIXKCAC-CRAIPNDOSA-N 1 0 316.445 2.591 20 70 DFIDRO Cc1ccc(C)c([C@@H]2CN(C(=O)C[NH2+]CC3CC3)[C@H](C)CO2)c1 ZINC000161274494 426015989 /nfs/dbraw/zinc/01/59/89/426015989.db2.gz AGCWABKTIXKCAC-QAPCUYQASA-N 1 0 316.445 2.591 20 70 DFIDRO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000161291763 426017291 /nfs/dbraw/zinc/01/72/91/426017291.db2.gz OZXLFROJLMJHMS-ZDUSSCGKSA-N 1 0 306.360 2.956 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ncc(C(N)=O)cc2Cl)C1 ZINC000161303822 426018434 /nfs/dbraw/zinc/01/84/34/426018434.db2.gz ALSJGJJBPAZXEY-LBPRGKRZSA-N 1 0 324.856 2.614 20 70 DFIDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000161320184 426019104 /nfs/dbraw/zinc/01/91/04/426019104.db2.gz CDCZAGZNIQXTBI-IACUBPJLSA-N 1 0 308.372 2.526 20 70 DFIDRO CC(C)[C@@H](O)CC(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000161345689 426019673 /nfs/dbraw/zinc/01/96/73/426019673.db2.gz XNSJBAMXVYPIRF-SFHVURJKSA-N 1 0 316.445 2.579 20 70 DFIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000161333760 426019828 /nfs/dbraw/zinc/01/98/28/426019828.db2.gz HWKANBXJJOYESS-CQDKDKBSSA-N 1 0 320.383 2.669 20 70 DFIDRO COC(=O)C1=NOC2(C1)CC[NH+](Cc1cc(C)cc(C)c1)CC2 ZINC000161353021 426020674 /nfs/dbraw/zinc/02/06/74/426020674.db2.gz KHMPTRQMAGTSCT-UHFFFAOYSA-N 1 0 316.401 2.587 20 70 DFIDRO C[C@H](CC(N)=O)[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000161351203 426021190 /nfs/dbraw/zinc/02/11/90/426021190.db2.gz ZJJGRKLKJQTAFM-HTQZYQBOSA-N 1 0 303.175 2.503 20 70 DFIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)N2CCC[C@H](C)C2)CC1 ZINC000161348154 426021291 /nfs/dbraw/zinc/02/12/91/426021291.db2.gz YBRIZOUBFFZPRF-OOHWJJMZSA-N 1 0 309.498 2.534 20 70 DFIDRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000161395863 426021749 /nfs/dbraw/zinc/02/17/49/426021749.db2.gz QXROFQGLHLUYMM-CQSZACIVSA-N 1 0 300.381 2.743 20 70 DFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c(C)onc1-c1ccccn1 ZINC000161393461 426022272 /nfs/dbraw/zinc/02/22/72/426022272.db2.gz QASTWHWPYQDVAC-GFCCVEGCSA-N 1 0 316.405 2.505 20 70 DFIDRO CC(C)[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000160205969 271080068 /nfs/dbraw/zinc/08/00/68/271080068.db2.gz JVESBKXOEIRBFH-CYBMUJFWSA-N 1 0 302.340 2.908 20 70 DFIDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160471211 277933046 /nfs/dbraw/zinc/93/30/46/277933046.db2.gz AXDFTXJIGGPJTJ-XJKCOSOUSA-N 1 0 314.433 2.692 20 70 DFIDRO C[C@@]1(C(=O)NCc2ccc(F)cc2C(F)(F)F)CCC[NH2+]C1 ZINC000161335025 279153595 /nfs/dbraw/zinc/15/35/95/279153595.db2.gz GUJSNFSRDUFLAT-CQSZACIVSA-N 1 0 318.314 2.850 20 70 DFIDRO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160543870 279183914 /nfs/dbraw/zinc/18/39/14/279183914.db2.gz MTMIZICITRTYMU-GPMSIDNRSA-N 1 0 322.493 2.793 20 70 DFIDRO C[C@H]1C[C@H](NC(=O)N2CCc3cccc(F)c3C2)C[N@@H+]1C1CC1 ZINC000159853651 280003408 /nfs/dbraw/zinc/00/34/08/280003408.db2.gz HSADCIVJNXUMCV-JSGCOSHPSA-N 1 0 317.408 2.519 20 70 DFIDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](CCO)CSC)CCCO2 ZINC000160175052 295276110 /nfs/dbraw/zinc/27/61/10/295276110.db2.gz FNOXJDRXVLRQJR-IUODEOHRSA-N 1 0 311.447 2.613 20 70 DFIDRO Cc1nc(CC(C)C)sc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159374712 295375652 /nfs/dbraw/zinc/37/56/52/295375652.db2.gz JCJVGHDQNSNBDP-BETUJISGSA-N 1 0 307.463 2.617 20 70 DFIDRO CC[C@@H](Oc1cccc(C)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159398576 295376017 /nfs/dbraw/zinc/37/60/17/295376017.db2.gz ULYLZXBAFRXOKV-HLLBOEOZSA-N 1 0 302.418 2.505 20 70 DFIDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1C ZINC000159409400 295376334 /nfs/dbraw/zinc/37/63/34/295376334.db2.gz BIEXEKBJNOTLOX-QGZVFWFLSA-N 1 0 324.490 2.597 20 70 DFIDRO Cc1ccc(C[C@@H](C)NC(=O)NC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000159451198 295376734 /nfs/dbraw/zinc/37/67/34/295376734.db2.gz DUMRDKYZPNKQMZ-OCCSQVGLSA-N 1 0 309.479 2.629 20 70 DFIDRO Cc1ccc(C[C@H](C)NC(=O)NC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000159451342 295376808 /nfs/dbraw/zinc/37/68/08/295376808.db2.gz DUMRDKYZPNKQMZ-JSGCOSHPSA-N 1 0 309.479 2.629 20 70 DFIDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1ncccc1F)CC(C)C ZINC000159582993 295378508 /nfs/dbraw/zinc/37/85/08/295378508.db2.gz TWZNGZIZDRIERO-CQSZACIVSA-N 1 0 324.444 2.776 20 70 DFIDRO CC(C)C[NH+]1CCN(Cc2noc(C3CCCCC3)n2)CC1 ZINC000159637004 295379520 /nfs/dbraw/zinc/37/95/20/295379520.db2.gz DTXLDFFCBZOBRE-UHFFFAOYSA-N 1 0 306.454 2.891 20 70 DFIDRO CC(C)COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000159646656 295379550 /nfs/dbraw/zinc/37/95/50/295379550.db2.gz OLIRNXXBXZNAGB-PBHICJAKSA-N 1 0 304.434 2.993 20 70 DFIDRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@H]1CCCSC1 ZINC000159651169 295379878 /nfs/dbraw/zinc/37/98/78/295379878.db2.gz MXNKMWILIMRYLI-ZBFHGGJFSA-N 1 0 306.475 2.609 20 70 DFIDRO COCCC1(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159673555 295380438 /nfs/dbraw/zinc/38/04/38/295380438.db2.gz OFYBHDZKWYMNQK-GASCZTMLSA-N 1 0 310.482 2.676 20 70 DFIDRO CC(C)[N@H+](CCC(=O)NC1CCCC1)CCc1nccs1 ZINC000159748401 295381168 /nfs/dbraw/zinc/38/11/68/295381168.db2.gz HBHGEEWPTZSASX-UHFFFAOYSA-N 1 0 309.479 2.845 20 70 DFIDRO COc1ccc(C[N@H+](C)Cc2ccc(-n3cncn3)cc2)cc1 ZINC000159868126 295383029 /nfs/dbraw/zinc/38/30/29/295383029.db2.gz KSPPXOZCMCMIKU-UHFFFAOYSA-N 1 0 308.385 2.908 20 70 DFIDRO CCOCC[N@@H+]1CCN(Cc2cc(F)ccc2C#N)C[C@@H]1CC ZINC000159954515 295384521 /nfs/dbraw/zinc/38/45/21/295384521.db2.gz JHDXHOMODNYKDL-SFHVURJKSA-N 1 0 319.424 2.630 20 70 DFIDRO CC(C)(C)CCS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160131849 295386843 /nfs/dbraw/zinc/38/68/43/295386843.db2.gz FKIJXRRAEGEQNI-HNNXBMFYSA-N 1 0 316.511 2.703 20 70 DFIDRO CCCCn1ncc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)c1C ZINC000160222031 295388294 /nfs/dbraw/zinc/38/82/94/295388294.db2.gz VJDSAKSJUKHZFN-AWEZNQCLSA-N 1 0 321.469 2.845 20 70 DFIDRO CC1CC[NH+](CCNC(=O)Cc2c[nH]c3cc(F)ccc23)CC1 ZINC000160235065 295388302 /nfs/dbraw/zinc/38/83/02/295388302.db2.gz QITWHILZXLZJNX-UHFFFAOYSA-N 1 0 317.408 2.698 20 70 DFIDRO C[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)C1CCOCC1 ZINC000160369695 295390438 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Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CC(C)(C)Cc3occc31)CC2 ZINC000160400549 302681711 /nfs/dbraw/zinc/68/17/11/302681711.db2.gz AIBSNICTRPFWGE-JSGCOSHPSA-N 1 0 300.406 2.798 20 70 DFIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(CCC(C)C)n2)C1 ZINC000160504707 519862470 /nfs/dbraw/zinc/86/24/70/519862470.db2.gz LLCGUDYMAJGPEX-HNNXBMFYSA-N 1 0 321.469 2.783 20 70 DFIDRO CC(C)n1nccc1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000160350021 520091070 /nfs/dbraw/zinc/09/10/70/520091070.db2.gz VZQSZPFEQWVPAM-PBHICJAKSA-N 1 0 306.454 2.704 20 70 DFIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cccnc1OC ZINC000160540457 521659396 /nfs/dbraw/zinc/65/93/96/521659396.db2.gz QBDXZPLUFVFFAJ-UHFFFAOYSA-N 1 0 308.426 2.676 20 70 DFIDRO CN(CC1CCCCC1)C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160481753 522650069 /nfs/dbraw/zinc/65/00/69/522650069.db2.gz UMRHGUXEDXBLJV-MJGOQNOKSA-N 1 0 322.493 2.652 20 70 DFIDRO COc1cc(O)c(C[N@H+](C)CCOc2ccccc2)cc1OC ZINC000159479877 522770756 /nfs/dbraw/zinc/77/07/56/522770756.db2.gz JTNBEEGTIBULMT-UHFFFAOYSA-N 1 0 317.385 2.920 20 70 DFIDRO Cc1ccc(OCCCC(=O)NCC2CC[NH+](C)CC2)c(C)c1 ZINC000159905786 525406302 /nfs/dbraw/zinc/40/63/02/525406302.db2.gz FUWYAHFALYAQNP-UHFFFAOYSA-N 1 0 318.461 2.920 20 70 DFIDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CCOC1 ZINC000161116174 525632639 /nfs/dbraw/zinc/63/26/39/525632639.db2.gz WSMNHUAQXCJMGO-QLFBSQMISA-N 1 0 324.415 2.944 20 70 DFIDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(OCC2CCOCC2)cc1 ZINC000159416810 527118680 /nfs/dbraw/zinc/11/86/80/527118680.db2.gz INPWNZXPFIWVGI-INIZCTEOSA-N 1 0 318.417 2.573 20 70 DFIDRO CC[C@H]([NH3+])C(=O)NCc1ccc(Oc2ccccc2OC)cc1 ZINC000159535991 186125433 /nfs/dbraw/zinc/12/54/33/186125433.db2.gz GRTTVYSOKYLJSI-HNNXBMFYSA-N 1 0 314.385 2.841 20 70 DFIDRO CCCS(=O)(=O)CC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000159567756 186127966 /nfs/dbraw/zinc/12/79/66/186127966.db2.gz XWHYONVBTZIGEN-UHFFFAOYSA-N 1 0 303.855 2.990 20 70 DFIDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159582352 186128989 /nfs/dbraw/zinc/12/89/89/186128989.db2.gz WIGNMNOXPWUEAV-ZYHUDNBSSA-N 1 0 317.451 2.775 20 70 DFIDRO COCCC1(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CCC1 ZINC000159641311 186132511 /nfs/dbraw/zinc/13/25/11/186132511.db2.gz UPFVPEFMLZIMJW-INIZCTEOSA-N 1 0 322.424 2.751 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](COC)C(C)C)cc1 ZINC000159661547 186133556 /nfs/dbraw/zinc/13/35/56/186133556.db2.gz OWKSNJVEUOVAMN-CZUORRHYSA-N 1 0 313.463 2.802 20 70 DFIDRO COc1cc(C)cc(CNC(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000159659662 186133708 /nfs/dbraw/zinc/13/37/08/186133708.db2.gz URQWDKRYCVCSGL-HNNXBMFYSA-N 1 0 319.449 2.535 20 70 DFIDRO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCCC1CCCCC1 ZINC000160497795 398970187 /nfs/dbraw/zinc/97/01/87/398970187.db2.gz BAHWJPHWCBKXLL-MJGOQNOKSA-N 1 0 322.493 2.700 20 70 DFIDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc[nH]c1=O ZINC000161001094 398974636 /nfs/dbraw/zinc/97/46/36/398974636.db2.gz SQTSGERDCIHTDZ-UHFFFAOYSA-N 1 0 311.385 2.678 20 70 DFIDRO Cc1ccc(Br)c(C(=O)NCCC[NH2+]C2CC2)c1 ZINC000161243350 398975670 /nfs/dbraw/zinc/97/56/70/398975670.db2.gz FTQWZCMLCFVFSK-UHFFFAOYSA-N 1 0 311.223 2.629 20 70 DFIDRO COc1ccc(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000161494760 197499375 /nfs/dbraw/zinc/49/93/75/197499375.db2.gz WCIRUZRVNSJFHQ-GFCCVEGCSA-N 1 0 324.852 2.991 20 70 DFIDRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000161100127 197465082 /nfs/dbraw/zinc/46/50/82/197465082.db2.gz XXSSJXBVZSNGTD-ZWKOTPCHSA-N 1 0 316.445 2.579 20 70 DFIDRO CC(C)[NH+](CCS[C@@H](C)C(=O)Nc1ncccn1)C(C)C ZINC000161015162 197457320 /nfs/dbraw/zinc/45/73/20/197457320.db2.gz XFVKTRCANWOUCU-ZDUSSCGKSA-N 1 0 310.467 2.656 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cnc3ccsc3c1)CC2 ZINC000160507778 197417127 /nfs/dbraw/zinc/41/71/27/197417127.db2.gz ZLTPDOWZBRPDQL-ZWNOBZJWSA-N 1 0 313.430 2.862 20 70 DFIDRO CCc1ccc([C@H](CNC(=O)C(C)(C)COC)[NH+](C)C)cc1 ZINC000160376742 197404466 /nfs/dbraw/zinc/40/44/66/197404466.db2.gz WJNKESPNYWYJQI-INIZCTEOSA-N 1 0 306.450 2.641 20 70 DFIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(F)cc2cccnc21 ZINC000160264896 197396474 /nfs/dbraw/zinc/39/64/74/197396474.db2.gz UEENQZXEOPHQMQ-CYBMUJFWSA-N 1 0 315.392 2.978 20 70 DFIDRO C[C@H](CC(=O)N1CC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000160272075 197397040 /nfs/dbraw/zinc/39/70/40/197397040.db2.gz CHRKCPWXVXLCMG-ZWNOBZJWSA-N 1 0 300.324 2.759 20 70 DFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc2nccnc2n1 ZINC000160245607 197394880 /nfs/dbraw/zinc/39/48/80/197394880.db2.gz XESFELQWBWFEIN-PBHICJAKSA-N 1 0 319.412 2.957 20 70 DFIDRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[C@H](O)c1ccccc1 ZINC000160234213 197394884 /nfs/dbraw/zinc/39/48/84/197394884.db2.gz RXQDWOFPNIQCGW-INMHGKMJSA-N 1 0 321.465 2.528 20 70 DFIDRO COc1cccc(CCC[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000160173826 197390515 /nfs/dbraw/zinc/39/05/15/197390515.db2.gz NELSRGXEYAHWTE-UHFFFAOYSA-N 1 0 305.418 2.713 20 70 DFIDRO CCOC(=O)[C@H](C)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160007855 197379647 /nfs/dbraw/zinc/37/96/47/197379647.db2.gz KJTCTJLPSQCKBQ-HNNXBMFYSA-N 1 0 319.449 2.572 20 70 DFIDRO CCOCCC1(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)CCC1 ZINC000159977479 197378197 /nfs/dbraw/zinc/37/81/97/197378197.db2.gz NJBQLCPSZPNSCF-HNNXBMFYSA-N 1 0 308.397 2.539 20 70 DFIDRO C[C@H](C[NH2+][C@H](C)c1cnn(C)c1)N1CCc2sccc2C1 ZINC000159860916 197369110 /nfs/dbraw/zinc/36/91/10/197369110.db2.gz WSWUGAVUVNNGNV-CHWSQXEVSA-N 1 0 304.463 2.579 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCCCCc2nc(C)cs2)CC1 ZINC000159806246 197365700 /nfs/dbraw/zinc/36/57/00/197365700.db2.gz ZTYNDVIDZTYALQ-UHFFFAOYSA-N 1 0 324.494 2.511 20 70 DFIDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CC1CC1)C1CCCCC1 ZINC000159803303 197365465 /nfs/dbraw/zinc/36/54/65/197365465.db2.gz PJGPLXGUBKNFLA-UHFFFAOYSA-N 1 0 319.405 2.801 20 70 DFIDRO CC(C)COc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000159760764 197362760 /nfs/dbraw/zinc/36/27/60/197362760.db2.gz AFPKIICCMKNULU-UHFFFAOYSA-N 1 0 304.434 2.809 20 70 DFIDRO NC(=O)CC1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000159764166 197362470 /nfs/dbraw/zinc/36/24/70/197362470.db2.gz IOAVMLPUVVFBHT-UHFFFAOYSA-N 1 0 309.413 2.836 20 70 DFIDRO c1cc2c(cc1C[NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)OCCO2 ZINC000159509518 197358893 /nfs/dbraw/zinc/35/88/93/197358893.db2.gz SBTIORYBPKCYHH-XKQJLSEDSA-N 1 0 301.386 2.505 20 70 DFIDRO [NH3+]C1(CNC(=O)c2cc(Br)cs2)CCCCC1 ZINC000159470067 197356041 /nfs/dbraw/zinc/35/60/41/197356041.db2.gz ZPVRRNDTJPCSKK-UHFFFAOYSA-N 1 0 317.252 2.902 20 70 DFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000159439689 197353367 /nfs/dbraw/zinc/35/33/67/197353367.db2.gz AVOAGVINTUAVEU-IUCAKERBSA-N 1 0 305.205 2.633 20 70 DFIDRO CC[C@](C)(O)CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159408962 197351482 /nfs/dbraw/zinc/35/14/82/197351482.db2.gz LHZZECSNAVQLLV-IBGZPJMESA-N 1 0 318.461 2.566 20 70 DFIDRO C#CCCCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000159384093 197349583 /nfs/dbraw/zinc/34/95/83/197349583.db2.gz XPJYJCVTXRWXDS-UHFFFAOYSA-N 1 0 313.445 2.885 20 70 DFIDRO Cc1nccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1Cl ZINC000159534462 542717556 /nfs/dbraw/zinc/71/75/56/542717556.db2.gz MMISQJGAXVOXNK-OCCSQVGLSA-N 1 0 322.840 2.991 20 70 DFIDRO C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000159527151 542717779 /nfs/dbraw/zinc/71/77/79/542717779.db2.gz PEEVHHUDSDONHE-MGPLVRAMSA-N 1 0 302.349 2.931 20 70 DFIDRO CCCN(C(=O)c1ccc(C[NH3+])o1)[C@H]1C[C@H](OCC)C1(C)C ZINC000160630923 542723477 /nfs/dbraw/zinc/72/34/77/542723477.db2.gz IOBUAVYULCERBE-GJZGRUSLSA-N 1 0 308.422 2.794 20 70 DFIDRO CCN1CCO[C@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000159544684 542718506 /nfs/dbraw/zinc/71/85/06/542718506.db2.gz VBONOPXQSKPHSL-CYBMUJFWSA-N 1 0 303.233 2.804 20 70 DFIDRO Cc1noc(C)c1[C@@H](C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159679769 542719438 /nfs/dbraw/zinc/71/94/38/542719438.db2.gz AWKRBGWCOVLCPY-GFCCVEGCSA-N 1 0 307.438 2.824 20 70 DFIDRO CCc1ccc(CCNC(=O)N2CCC[N@@H+](CC)CC2)cc1 ZINC000159881176 542720030 /nfs/dbraw/zinc/72/00/30/542720030.db2.gz MVHMFIGFEFNXBP-UHFFFAOYSA-N 1 0 303.450 2.529 20 70 DFIDRO CCn1nccc1C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000160003454 542720042 /nfs/dbraw/zinc/72/00/42/542720042.db2.gz KADHJWSANROGMR-GFCCVEGCSA-N 1 0 319.405 2.780 20 70 DFIDRO C[N@H+](CCCCS(C)(=O)=O)Cc1ccc(OC(F)F)cc1 ZINC000161142464 542727304 /nfs/dbraw/zinc/72/73/04/542727304.db2.gz LYLGHFLEBWQAAW-UHFFFAOYSA-N 1 0 321.389 2.545 20 70 DFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)c2ccncc2)C1 ZINC000161167856 542727449 /nfs/dbraw/zinc/72/74/49/542727449.db2.gz TXSZQSCYAYOYHP-HZPDHXFCSA-N 1 0 303.450 2.669 20 70 DFIDRO Cc1ccc(Br)c(C(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000161244734 542727881 /nfs/dbraw/zinc/72/78/81/542727881.db2.gz WMUOZLAMIINIFM-LLVKDONJSA-N 1 0 311.223 2.629 20 70 DFIDRO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161217328 542727885 /nfs/dbraw/zinc/72/78/85/542727885.db2.gz NSYAFFKNCFAAEO-GHMZBOCLSA-N 1 0 305.403 2.711 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2sccc2Br)C1 ZINC000161313076 542728828 /nfs/dbraw/zinc/72/88/28/542728828.db2.gz XRWJHDAVIPCPFF-YUMQZZPRSA-N 1 0 303.225 2.510 20 70 DFIDRO Cc1ccc2c(CC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)coc2c1C ZINC000161375949 542729880 /nfs/dbraw/zinc/72/98/80/542729880.db2.gz OCJUDIDFFGBGMT-CABCVRRESA-N 1 0 300.402 2.978 20 70 DFIDRO C[C@@H](CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccncc1 ZINC000160615766 542723714 /nfs/dbraw/zinc/72/37/14/542723714.db2.gz NDDWZPUPNJWXBQ-HOTGVXAUSA-N 1 0 301.434 2.520 20 70 DFIDRO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC[C@H]1[NH3+] ZINC000160672682 542724809 /nfs/dbraw/zinc/72/48/09/542724809.db2.gz HKTBQGVWDGPOHS-FVCCEPFGSA-N 1 0 306.372 2.941 20 70 DFIDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)c2ccncc2)C1 ZINC000160817132 542725071 /nfs/dbraw/zinc/72/50/71/542725071.db2.gz QQBVHTMXRYCBRK-HZPDHXFCSA-N 1 0 303.450 2.766 20 70 DFIDRO Cc1cc(Br)ccc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160888333 542725263 /nfs/dbraw/zinc/72/52/63/542725263.db2.gz ZYDUIOMDBQSIMN-RYUDHWBXSA-N 1 0 311.223 2.757 20 70 DFIDRO CC(=O)N(Cc1ccc(NC(=O)CC[NH2+]C(C)C)cc1)C1CC1 ZINC000160952740 542726235 /nfs/dbraw/zinc/72/62/35/542726235.db2.gz UASQIQYKKMUUDM-UHFFFAOYSA-N 1 0 317.433 2.524 20 70 DFIDRO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)ccc1OC(C)C ZINC000159532999 286220781 /nfs/dbraw/zinc/22/07/81/286220781.db2.gz YHXDDJKGUNXNNU-UKRRQHHQSA-N 1 0 320.433 2.568 20 70 DFIDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000161413629 267547532 /nfs/dbraw/zinc/54/75/32/267547532.db2.gz ITNBOENFYZBUKN-NVXWUHKLSA-N 1 0 324.490 2.995 20 70 DFIDRO CO[C@@H]1CCC[C@H]1[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000218105687 268139646 /nfs/dbraw/zinc/13/96/46/268139646.db2.gz VHZHLFQUJYJPSL-NEXFUWMNSA-N 1 0 312.454 2.979 20 70 DFIDRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000218103472 268139778 /nfs/dbraw/zinc/13/97/78/268139778.db2.gz NMFMBSHUGCFASH-YMAMQOFZSA-N 1 0 312.454 2.981 20 70 DFIDRO C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218177479 268140056 /nfs/dbraw/zinc/14/00/56/268140056.db2.gz QTLGLRDDCFNSFA-ZIAGYGMSSA-N 1 0 322.453 2.545 20 70 DFIDRO CC[C@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160365428 425980347 /nfs/dbraw/zinc/98/03/47/425980347.db2.gz UNIPZXKZKJUATM-AEFFLSMTSA-N 1 0 318.461 2.533 20 70 DFIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cccc(OC)c1 ZINC000160353492 425980639 /nfs/dbraw/zinc/98/06/39/425980639.db2.gz VRMOHRMMTFUXPP-GDBMZVCRSA-N 1 0 300.406 2.651 20 70 DFIDRO CC#CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000160447259 425982894 /nfs/dbraw/zinc/98/28/94/425982894.db2.gz ILJVXXSACTXSOF-CQSZACIVSA-N 1 0 303.381 2.683 20 70 DFIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(N(C)C)cc1 ZINC000160443007 425983193 /nfs/dbraw/zinc/98/31/93/425983193.db2.gz YGWAFFIVAKHVEC-DOTOQJQBSA-N 1 0 313.449 2.708 20 70 DFIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000160494666 425984557 /nfs/dbraw/zinc/98/45/57/425984557.db2.gz PCXCOYCHSGDHNE-HIFRSBDPSA-N 1 0 315.377 2.550 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)CCCOc2ccc(C(C)(C)C)cc2)C1 ZINC000160523510 425984889 /nfs/dbraw/zinc/98/48/89/425984889.db2.gz PXMXGUODNBJDOR-MRXNPFEDSA-N 1 0 318.461 2.963 20 70 DFIDRO COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000160509893 425984938 /nfs/dbraw/zinc/98/49/38/425984938.db2.gz MGHIWQKLJAAHDA-LESCRADOSA-N 1 0 307.434 2.914 20 70 DFIDRO C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000160543625 425986309 /nfs/dbraw/zinc/98/63/09/425986309.db2.gz ZHDNQQABMKOQEG-MNOVXSKESA-N 1 0 314.351 2.954 20 70 DFIDRO COC(=O)c1ccc([C@@H](C)[NH+]2CCC(c3ccnn3C)CC2)o1 ZINC000160531314 425986523 /nfs/dbraw/zinc/98/65/23/425986523.db2.gz AJWKJMAAFSAKHD-GFCCVEGCSA-N 1 0 317.389 2.740 20 70 DFIDRO CCCCOc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160568383 425987148 /nfs/dbraw/zinc/98/71/48/425987148.db2.gz ROKHNAVCRCUYAY-IYBDPMFKSA-N 1 0 302.418 2.832 20 70 DFIDRO O=C(NCC[NH+]1CCCCC1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000160568858 425987607 /nfs/dbraw/zinc/98/76/07/425987607.db2.gz NTXHINVBIMCARE-KBPBESRZSA-N 1 0 308.372 2.670 20 70 DFIDRO Cc1cc(C(=O)NCCC[NH+](C)C)c(C)cc1Br ZINC000160558604 425987822 /nfs/dbraw/zinc/98/78/22/425987822.db2.gz NCMJZTOQRVVUOI-UHFFFAOYSA-N 1 0 313.239 2.747 20 70 DFIDRO Cc1noc(C)c1CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160599527 425988407 /nfs/dbraw/zinc/98/84/07/425988407.db2.gz WIUXRZFUFHLSPH-OAHLLOKOSA-N 1 0 315.421 2.946 20 70 DFIDRO CCC[C@@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)ncn2)C1 ZINC000160588381 425988456 /nfs/dbraw/zinc/98/84/56/425988456.db2.gz IMGLZCJUVHCRKI-CVEARBPZSA-N 1 0 318.465 2.702 20 70 DFIDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160609265 425990213 /nfs/dbraw/zinc/99/02/13/425990213.db2.gz BFYYMYIVXGDABM-IBGZPJMESA-N 1 0 320.477 2.814 20 70 DFIDRO Cc1ccc(C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2CC2)cc1 ZINC000160632005 425991019 /nfs/dbraw/zinc/99/10/19/425991019.db2.gz MACNZICNYNKQKP-CQSZACIVSA-N 1 0 314.351 2.584 20 70 DFIDRO C[NH+](C)Cc1cccc(CNC(=O)N2CCC3(CCC3)C2)c1 ZINC000160638271 425991073 /nfs/dbraw/zinc/99/10/73/425991073.db2.gz BFWXFGFZAHNEFR-UHFFFAOYSA-N 1 0 301.434 2.834 20 70 DFIDRO CC[C@@H](O)CCNC(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000160747123 425994172 /nfs/dbraw/zinc/99/41/72/425994172.db2.gz BVZOQTAULFGWDV-IAGOWNOFSA-N 1 0 321.465 2.530 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(Cl)ccc2Br)C1 ZINC000160741031 425994594 /nfs/dbraw/zinc/99/45/94/425994594.db2.gz CAECCOHRACCAFS-SECBINFHSA-N 1 0 317.614 2.536 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)C1 ZINC000160732590 425994877 /nfs/dbraw/zinc/99/48/77/425994877.db2.gz AQRZSJKDMHSILT-ZDUSSCGKSA-N 1 0 321.380 2.929 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC000160760630 425995345 /nfs/dbraw/zinc/99/53/45/425995345.db2.gz NNVZEXLFKJGVSC-CABZTGNLSA-N 1 0 317.216 2.581 20 70 DFIDRO CC[NH+]1CCC(NC(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000161017291 426006045 /nfs/dbraw/zinc/00/60/45/426006045.db2.gz CLFAUPCVQHMCEZ-UHFFFAOYSA-N 1 0 307.442 2.535 20 70 DFIDRO C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000160845489 425997751 /nfs/dbraw/zinc/99/77/51/425997751.db2.gz ZLWWJGNILDTPCI-RYRKJORJSA-N 1 0 316.445 2.534 20 70 DFIDRO CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000160861723 425998619 /nfs/dbraw/zinc/99/86/19/425998619.db2.gz ZLHPZGLBCFIVQQ-JLCFBVMHSA-N 1 0 322.474 2.672 20 70 DFIDRO C[NH+](C)[C@@H](CNC(=O)c1ccnc(Cl)c1F)c1ccccc1 ZINC000160893414 426000871 /nfs/dbraw/zinc/00/08/71/426000871.db2.gz JZWDFSFXSSDKGZ-ZDUSSCGKSA-N 1 0 321.783 2.907 20 70 DFIDRO Cc1nccn1CCC[N@@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000160931611 426001394 /nfs/dbraw/zinc/00/13/94/426001394.db2.gz YEUVAOOVOHAXNC-UHFFFAOYSA-N 1 0 318.440 2.785 20 70 DFIDRO CC(C)[N@H+](C)CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000160916460 426001859 /nfs/dbraw/zinc/00/18/59/426001859.db2.gz SQQQJWISVVDHQP-UHFFFAOYSA-N 1 0 314.414 2.960 20 70 DFIDRO Cc1c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cnn1CC(C)C ZINC000160939362 426002765 /nfs/dbraw/zinc/00/27/65/426002765.db2.gz DSMIEFSESUHQIG-LSDHHAIUSA-N 1 0 320.481 2.698 20 70 DFIDRO CCOCCO[C@H]1CC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000160957948 426002964 /nfs/dbraw/zinc/00/29/64/426002964.db2.gz PKFILUWBBJWCMB-KRWDZBQOSA-N 1 0 305.418 2.695 20 70 DFIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000159425087 425960695 /nfs/dbraw/zinc/96/06/95/425960695.db2.gz APZBZQPCBXFQLV-WMLDXEAASA-N 1 0 317.437 2.500 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC000159450949 425961137 /nfs/dbraw/zinc/96/11/37/425961137.db2.gz BXSGZCQVYWNJBU-UGFHNGPFSA-N 1 0 312.841 2.906 20 70 DFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000159525409 425962171 /nfs/dbraw/zinc/96/21/71/425962171.db2.gz UMLCRYDNYLJFCB-MWLCHTKSSA-N 1 0 316.323 2.513 20 70 DFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000159525285 425962462 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CC(C)OCCC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000159745445 425966297 /nfs/dbraw/zinc/96/62/97/425966297.db2.gz OEWPZXZYGIGPPQ-UHFFFAOYSA-N 1 0 310.482 2.962 20 70 DFIDRO CCCCn1ncc(NC(=O)NC2CC[NH+](CC)CC2)c1C ZINC000159747147 425966326 /nfs/dbraw/zinc/96/63/26/425966326.db2.gz ACXNZDYHMZKJNV-UHFFFAOYSA-N 1 0 307.442 2.597 20 70 DFIDRO O=C(c1ccc(F)c(C(F)(F)F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159787976 425967415 /nfs/dbraw/zinc/96/74/15/425967415.db2.gz UYYDLWLRVCNKDE-PHIMTYICSA-N 1 0 316.298 2.811 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCC2(c3ccccc3C)CC2)CC1 ZINC000159803020 425968138 /nfs/dbraw/zinc/96/81/38/425968138.db2.gz WLKKJBULWHEMDS-UHFFFAOYSA-N 1 0 315.461 2.764 20 70 DFIDRO C[C@@H]1CN(c2ncc(Cl)cc2Br)C[C@@H]1[NH+](C)C ZINC000159845642 425969176 /nfs/dbraw/zinc/96/91/76/425969176.db2.gz PQQZCVBJLDJFSJ-KCJUWKMLSA-N 1 0 318.646 2.884 20 70 DFIDRO CC[C@@H](C)OCC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000159818335 425969653 /nfs/dbraw/zinc/96/96/53/425969653.db2.gz 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/nfs/dbraw/zinc/02/27/65/426022765.db2.gz RXYDRUOTADHSGI-MLEONAHRSA-N 1 0 322.836 2.517 20 70 DFIDRO CCC[N@@H+](Cc1c[nH]nc1C)C[C@@H]1COc2ccccc2O1 ZINC000161428853 426023075 /nfs/dbraw/zinc/02/30/75/426023075.db2.gz RWXYXGSDOWKUQP-OAHLLOKOSA-N 1 0 301.390 2.770 20 70 DFIDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCCO1)Cc1ccccc1 ZINC000161466423 426025664 /nfs/dbraw/zinc/02/56/64/426025664.db2.gz HMZDBKVGZPFAAU-QZTJIDSGSA-N 1 0 318.461 2.625 20 70 DFIDRO COc1cccc(CCC[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000161468352 426025958 /nfs/dbraw/zinc/02/59/58/426025958.db2.gz VESDRPVBCZLQGL-UHFFFAOYSA-N 1 0 304.434 2.665 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC000161505225 426026461 /nfs/dbraw/zinc/02/64/61/426026461.db2.gz KKQXVKFIFDEXNQ-OTBWCIGPSA-N 1 0 310.482 2.865 20 70 DFIDRO CO[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000161036238 426006655 /nfs/dbraw/zinc/00/66/55/426006655.db2.gz SMLDHILQEYBAHK-QWHCGFSZSA-N 1 0 303.233 2.932 20 70 DFIDRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)C[NH+]1CCCC1 ZINC000161071581 426007406 /nfs/dbraw/zinc/00/74/06/426007406.db2.gz MRJPAXMPYYTDET-NWANDNLSSA-N 1 0 322.399 2.916 20 70 DFIDRO COc1c(CN(C)CCOc2ccc(Cl)cc2)c(C)nn1C ZINC000161159258 426010743 /nfs/dbraw/zinc/01/07/43/426010743.db2.gz BLTKAOHJINOKKF-UHFFFAOYSA-N 1 0 323.824 2.901 20 70 DFIDRO COc1cc(CCC(=O)N2CC[NH+](C(C)C)CC2)ccc1Cl ZINC000161181729 426012250 /nfs/dbraw/zinc/01/22/50/426012250.db2.gz YKXGXRWXEGPMCZ-UHFFFAOYSA-N 1 0 324.852 2.834 20 70 DFIDRO CCCCn1ncc(C(=O)NC2CC[NH+](CCC)CC2)c1C ZINC000161187872 426012523 /nfs/dbraw/zinc/01/25/23/426012523.db2.gz LKBIHDXLILQRBJ-UHFFFAOYSA-N 1 0 306.454 2.596 20 70 DFIDRO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161179996 426012539 /nfs/dbraw/zinc/01/25/39/426012539.db2.gz TYWZVCTUICYLDE-GPMSIDNRSA-N 1 0 316.445 2.665 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000161178913 426012798 /nfs/dbraw/zinc/01/27/98/426012798.db2.gz FWCKGOZDEXJRQK-UHFFFAOYSA-N 1 0 317.433 2.907 20 70 DFIDRO CC(=O)NC1CCC(Nc2cc(C[NH+](C)C)ccc2C)CC1 ZINC000161190522 426012890 /nfs/dbraw/zinc/01/28/90/426012890.db2.gz BXBSINCVZYYNCU-UHFFFAOYSA-N 1 0 303.450 2.916 20 70 DFIDRO CC[NH+](CC)CC(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000161231008 426013321 /nfs/dbraw/zinc/01/33/21/426013321.db2.gz XSQWDHZBXORMJV-UHFFFAOYSA-N 1 0 318.461 2.662 20 70 DFIDRO C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)NCc1ccccc1 ZINC000161210827 426013652 /nfs/dbraw/zinc/01/36/52/426013652.db2.gz BMFPLUPDQIXJNP-ZFWWWQNUSA-N 1 0 304.434 2.627 20 70 DFIDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)NCc1ccccc1 ZINC000161210708 426013754 /nfs/dbraw/zinc/01/37/54/426013754.db2.gz BMFPLUPDQIXJNP-UKRRQHHQSA-N 1 0 304.434 2.627 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)NCc1cccc(OCC(F)F)c1 ZINC000161209121 426013904 /nfs/dbraw/zinc/01/39/04/426013904.db2.gz GVADNZYNIPCXCA-UHFFFAOYSA-N 1 0 314.376 2.712 20 70 DFIDRO CCC[N@H+](CCO)Cc1ccccc1OCc1ccccn1 ZINC000161213002 426014184 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C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000161339392 426020051 /nfs/dbraw/zinc/02/00/51/426020051.db2.gz PRZDKVMJRVQUFQ-STQMWFEESA-N 1 0 310.825 2.626 20 70 DFIDRO COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc(OC)c1 ZINC000161334230 426020303 /nfs/dbraw/zinc/02/03/03/426020303.db2.gz PCXRZAPPOLCWHF-IEBWSBKVSA-N 1 0 315.413 2.576 20 70 DFIDRO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000161347600 426020577 /nfs/dbraw/zinc/02/05/77/426020577.db2.gz JEKXGOLZGRHYHG-GFCCVEGCSA-N 1 0 306.360 2.956 20 70 DFIDRO CCc1ccc([C@H](CNC(=O)[C@@H]2CCCCO2)[NH+](C)C)cc1 ZINC000161395703 426022029 /nfs/dbraw/zinc/02/20/29/426022029.db2.gz QJPBJEBPDDIRLF-IRXDYDNUSA-N 1 0 304.434 2.537 20 70 DFIDRO CCCCOc1ccc(CC[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000161386364 426022294 /nfs/dbraw/zinc/02/22/94/426022294.db2.gz FYXKTONMXUHTLT-UHFFFAOYSA-N 1 0 319.449 2.541 20 70 DFIDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000217864185 426565938 /nfs/dbraw/zinc/56/59/38/426565938.db2.gz 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C[S@@](=O)C[C@H]([NH2+]Cc1cnc2ccccn12)c1ccccc1 ZINC000159592487 295378669 /nfs/dbraw/zinc/37/86/69/295378669.db2.gz WTYKIUFLYMEPDI-AOMKIAJQSA-N 1 0 313.426 2.544 20 70 DFIDRO Cc1ccc([C@H](CNC(=O)[C@H]2OCC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000159572254 295378758 /nfs/dbraw/zinc/37/87/58/295378758.db2.gz DJBOTEIJDCUDAD-NJAFHUGGSA-N 1 0 316.445 2.673 20 70 DFIDRO CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159644776 295379578 /nfs/dbraw/zinc/37/95/78/295379578.db2.gz QOUFSUBDJHNILS-RDJZCZTQSA-N 1 0 322.474 2.701 20 70 DFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NCCc1c(F)cccc1F ZINC000159721394 295380684 /nfs/dbraw/zinc/38/06/84/295380684.db2.gz LRZSPHADOOYLIX-GUYCJALGSA-N 1 0 322.399 2.888 20 70 DFIDRO COCCC[NH+]1CCC(NC(=O)C2CCC(C)(C)CC2)CC1 ZINC000159847808 295382475 /nfs/dbraw/zinc/38/24/75/295382475.db2.gz CGTCXSOQRWTXME-UHFFFAOYSA-N 1 0 310.482 2.820 20 70 DFIDRO CC[NH+]1CCC(CCNC(=O)NCC2(C3CC3)CCC2)CC1 ZINC000159877374 295383208 /nfs/dbraw/zinc/38/32/08/295383208.db2.gz LRGNVJUBWYWWSY-UHFFFAOYSA-N 1 0 307.482 2.988 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000159918921 295383434 /nfs/dbraw/zinc/38/34/34/295383434.db2.gz NZORCWZANJEQRW-GASCZTMLSA-N 1 0 323.506 2.901 20 70 DFIDRO C[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)N1CCc2ccccc21 ZINC000159921270 295383552 /nfs/dbraw/zinc/38/35/52/295383552.db2.gz IPIAMAUBUUUZAO-AWEZNQCLSA-N 1 0 323.431 2.757 20 70 DFIDRO O=[N+]([O-])c1cc(Cl)ccc1CSCCN1CCOCC1 ZINC000159940026 295384209 /nfs/dbraw/zinc/38/42/09/295384209.db2.gz ZLFITIVXCNFHOA-UHFFFAOYSA-N 1 0 316.810 2.814 20 70 DFIDRO CCCCn1ncc(NC(=O)N2CCC([NH2+]C(C)C)CC2)c1C ZINC000159960135 295384561 /nfs/dbraw/zinc/38/45/61/295384561.db2.gz SCSFCJVLFVRUFD-UHFFFAOYSA-N 1 0 321.469 2.986 20 70 DFIDRO CN(Cc1cc(Cl)c2c(c1)OCCCO2)[C@@H](C[NH3+])C1CC1 ZINC000159990251 295384995 /nfs/dbraw/zinc/38/49/95/295384995.db2.gz FPMDYFGWFKNPCN-AWEZNQCLSA-N 1 0 310.825 2.670 20 70 DFIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2ccc(C)c(OC)c2)CC1 ZINC000160067406 295386181 /nfs/dbraw/zinc/38/61/81/295386181.db2.gz QWGSYERNNPCQQS-MRXNPFEDSA-N 1 0 316.445 2.636 20 70 DFIDRO CCSCC[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1F ZINC000160108586 295386614 /nfs/dbraw/zinc/38/66/14/295386614.db2.gz QJZJSNRXNIZADM-QWHCGFSZSA-N 1 0 301.427 2.687 20 70 DFIDRO C[NH+](C)CCN(C(=O)NCc1cccc(C#N)c1)C1CCCC1 ZINC000160147640 295387350 /nfs/dbraw/zinc/38/73/50/295387350.db2.gz ZOPCCUKWLXMZSL-UHFFFAOYSA-N 1 0 314.433 2.574 20 70 DFIDRO CCCCn1ncc(NC(=O)N(C)CC[NH+]2CCCC2)c1C ZINC000160157978 295387457 /nfs/dbraw/zinc/38/74/57/295387457.db2.gz IOWZBABDFIXOGL-UHFFFAOYSA-N 1 0 307.442 2.551 20 70 DFIDRO C[C@@H]1C[C@H](NC(=O)N(C)CC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000160195573 295387723 /nfs/dbraw/zinc/38/77/23/295387723.db2.gz BMBNRNHSHYFOJC-OCCSQVGLSA-N 1 0 311.376 2.556 20 70 DFIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000160251641 295388852 /nfs/dbraw/zinc/38/88/52/295388852.db2.gz CFUKYGHRNUZBNQ-GXTWGEPZSA-N 1 0 311.447 2.613 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC(=O)c1ccccc1 ZINC000160424338 295391033 /nfs/dbraw/zinc/39/10/33/295391033.db2.gz CNLVPUGIBXPJMO-QGZVFWFLSA-N 1 0 316.445 2.886 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Oc1ccccc1 ZINC000160511750 295392083 /nfs/dbraw/zinc/39/20/83/295392083.db2.gz WGUOIOQDBRGBRG-JKSUJKDBSA-N 1 0 304.434 2.691 20 70 DFIDRO CC[C@H](CCO)[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000160547482 295392333 /nfs/dbraw/zinc/39/23/33/295392333.db2.gz ZWSJEMLOBWSSIV-KFWWJZLASA-N 1 0 314.470 2.915 20 70 DFIDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160632284 295393729 /nfs/dbraw/zinc/39/37/29/295393729.db2.gz LQHKHMRRIGVDKE-FMKPAKJESA-N 1 0 320.433 2.553 20 70 DFIDRO CC[C@@H]([NH2+]Cc1cn(C)nc1C)c1ccc2c(c1)OCCO2 ZINC000160678060 295394489 /nfs/dbraw/zinc/39/44/89/295394489.db2.gz TWFGSHCJLOAIPV-OAHLLOKOSA-N 1 0 301.390 2.741 20 70 DFIDRO C[NH+](C)Cc1ccc(C(=O)Nc2cccc3c2OCCO3)cc1 ZINC000160745929 295395030 /nfs/dbraw/zinc/39/50/30/295395030.db2.gz HAVANPKPFMHYCT-UHFFFAOYSA-N 1 0 312.369 2.772 20 70 DFIDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1)c1c(C)nn(C)c1C ZINC000160798720 295395622 /nfs/dbraw/zinc/39/56/22/295395622.db2.gz XYCMKGAOKWFHNZ-HNNXBMFYSA-N 1 0 300.406 2.716 20 70 DFIDRO CCC[C@H](C(=O)NCCCn1ccc2ccccc21)[NH+](C)C ZINC000161253247 295400601 /nfs/dbraw/zinc/40/06/01/295400601.db2.gz VVSCOJOEZFBCFM-QGZVFWFLSA-N 1 0 301.434 2.878 20 70 DFIDRO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1cnc2ccccn12)c1ccccc1 ZINC000161288583 295400961 /nfs/dbraw/zinc/40/09/61/295400961.db2.gz JUPHAEAJQPLRDR-KSSFIOAISA-N 1 0 323.396 2.974 20 70 DFIDRO CCC[C@H](C(=O)NCc1ccccc1OC(F)(F)F)[NH+](C)C ZINC000161347845 295401889 /nfs/dbraw/zinc/40/18/89/295401889.db2.gz IQCKYRQKBNIWEY-GFCCVEGCSA-N 1 0 318.339 2.932 20 70 DFIDRO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H](C)CC#N)cc1 ZINC000160129066 332872474 /nfs/dbraw/zinc/87/24/74/332872474.db2.gz IOBVXOCRXYNPOK-AWEZNQCLSA-N 1 0 318.421 2.831 20 70 DFIDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000160908189 519828636 /nfs/dbraw/zinc/82/86/36/519828636.db2.gz HBWWXVHAFSRAII-RHSMWYFYSA-N 1 0 320.433 2.535 20 70 DFIDRO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160527131 521584156 /nfs/dbraw/zinc/58/41/56/521584156.db2.gz WNARQSYWUCYUSS-GXTWGEPZSA-N 1 0 300.406 2.651 20 70 DFIDRO COCC[C@@H](C)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161129427 521798523 /nfs/dbraw/zinc/79/85/23/521798523.db2.gz PGOGMCRKRQDHAH-KGLIPLIRSA-N 1 0 312.404 2.944 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000160691662 522503226 /nfs/dbraw/zinc/50/32/26/522503226.db2.gz NFDRUNNWVZYHTN-INIZCTEOSA-N 1 0 311.429 2.836 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCSc3ccccc31)CC2 ZINC000160378433 527195785 /nfs/dbraw/zinc/19/57/85/527195785.db2.gz ZZXBIIDWDDWVSZ-JSGCOSHPSA-N 1 0 300.431 2.728 20 70 DFIDRO Cc1nn(C)cc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160169513 527692301 /nfs/dbraw/zinc/69/23/01/527692301.db2.gz JXMCUEFFUZQZFK-KRWDZBQOSA-N 1 0 315.417 2.615 20 70 DFIDRO CCN(CC)c1ncc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000218119397 535693122 /nfs/dbraw/zinc/69/31/22/535693122.db2.gz PBRYTVYDABZFKM-CABCVRRESA-N 1 0 308.495 2.706 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(F)c(F)c(F)c1)CC2 ZINC000160426159 282118785 /nfs/dbraw/zinc/11/87/85/282118785.db2.gz LQVIUMHLGLIBPK-KCJUWKMLSA-N 1 0 310.323 2.669 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000160472171 282127729 /nfs/dbraw/zinc/12/77/29/282127729.db2.gz IILVGCKPJMKGFY-ZBFHGGJFSA-N 1 0 324.428 2.937 20 70 DFIDRO C[C@H]1C[NH+](C[C@@H]2CCCN2c2nc3ccccc3o2)C[C@H](C)O1 ZINC000160490239 290857017 /nfs/dbraw/zinc/85/70/17/290857017.db2.gz AWTBZKILSLLUJJ-KKUMJFAQSA-N 1 0 315.417 2.906 20 70 DFIDRO C[N@@H+](CC(=O)Nc1cccc2ccccc21)C[C@H]1CCC[C@@H]1O ZINC000159532555 186125718 /nfs/dbraw/zinc/12/57/18/186125718.db2.gz LXNIHTZQZUXLED-QAPCUYQASA-N 1 0 312.413 2.871 20 70 DFIDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2OCC[C@@H]2C)c1 ZINC000159532718 186125757 /nfs/dbraw/zinc/12/57/57/186125757.db2.gz TWCDJRXSRBMQFB-WMLDXEAASA-N 1 0 304.434 2.568 20 70 DFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000159574925 186128244 /nfs/dbraw/zinc/12/82/44/186128244.db2.gz OSLPQDHYTFQFSG-KKUMJFAQSA-N 1 0 314.429 2.718 20 70 DFIDRO CCC[C@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1)[NH+](C)C ZINC000159603622 186130387 /nfs/dbraw/zinc/13/03/87/186130387.db2.gz WXRWHUZHFGYSRP-NVXWUHKLSA-N 1 0 303.450 2.502 20 70 DFIDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159690118 186135726 /nfs/dbraw/zinc/13/57/26/186135726.db2.gz RSVMPBBCMCOARO-LBPRGKRZSA-N 1 0 319.336 2.589 20 70 DFIDRO COc1cccc(SCC(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159710916 186137014 /nfs/dbraw/zinc/13/70/14/186137014.db2.gz HHSPHVDGLINGOV-UHFFFAOYSA-N 1 0 308.447 2.565 20 70 DFIDRO Nc1nc(-n2cccn2)cc(N2CCC[C@H]2c2cccs2)[nH+]1 ZINC000159728964 186137809 /nfs/dbraw/zinc/13/78/09/186137809.db2.gz JMXRSCPTCRIFIA-NSHDSACASA-N 1 0 312.402 2.648 20 70 DFIDRO COc1cc(OC)c(OC)cc1C[N@H+](C)CCOCC1CC1 ZINC000159756247 186140019 /nfs/dbraw/zinc/14/00/19/186140019.db2.gz JXMULVDZJUDGJR-UHFFFAOYSA-N 1 0 309.406 2.571 20 70 DFIDRO C[C@H]1C[C@@H](NC(=O)N2CCc3cccc(F)c3C2)C[N@@H+]1C1CC1 ZINC000159853811 291074734 /nfs/dbraw/zinc/07/47/34/291074734.db2.gz HSADCIVJNXUMCV-GXTWGEPZSA-N 1 0 317.408 2.519 20 70 DFIDRO [NH3+]C1(C(=O)N2CCc3ccc(Br)cc32)CCCCC1 ZINC000159996342 283399241 /nfs/dbraw/zinc/39/92/41/283399241.db2.gz HVLLQCBAZUWWBR-UHFFFAOYSA-N 1 0 323.234 3.000 20 70 DFIDRO CC[N@H+](CCNC(=O)c1coc(-c2ccccc2)n1)C(C)C ZINC000160177912 398968733 /nfs/dbraw/zinc/96/87/33/398968733.db2.gz XRVJQLGVJQLNNH-UHFFFAOYSA-N 1 0 301.390 2.802 20 70 DFIDRO OC1CC(C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000160332997 398970340 /nfs/dbraw/zinc/97/03/40/398970340.db2.gz PINKFXLHDWJZLM-UHFFFAOYSA-N 1 0 321.218 2.858 20 70 DFIDRO COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000160560813 398971510 /nfs/dbraw/zinc/97/15/10/398971510.db2.gz DQKIDKPLIPBDKM-WMZOPIPTSA-N 1 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[NH3+]C[C@@H]1CCCN1C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000160276424 197397777 /nfs/dbraw/zinc/39/77/77/197397777.db2.gz BWBBQVHCKFHWOX-JTQLQIEISA-N 1 0 304.337 2.862 20 70 DFIDRO [NH3+]CCCNC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000160066768 197383167 /nfs/dbraw/zinc/38/31/67/197383167.db2.gz RYZJBSLEBPLPBY-RTBURBONSA-N 1 0 324.424 2.834 20 70 DFIDRO CC(C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000160051140 197381673 /nfs/dbraw/zinc/38/16/73/197381673.db2.gz HVIQDDQIEFGAKS-ZIAGYGMSSA-N 1 0 308.372 2.621 20 70 DFIDRO COc1cccc(Cl)c1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000160138376 197388851 /nfs/dbraw/zinc/38/88/51/197388851.db2.gz MYMVMTJDFMYUTM-QWHCGFSZSA-N 1 0 324.852 2.832 20 70 DFIDRO Cc1nc2cc(C(=O)NCC(C)(C)[NH3+])ccc2n1-c1ccccc1 ZINC000160033814 197381197 /nfs/dbraw/zinc/38/11/97/197381197.db2.gz FWZOFGGJCRDACF-UHFFFAOYSA-N 1 0 322.412 2.801 20 70 DFIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1cnn(C)c1 ZINC000159860781 197368969 /nfs/dbraw/zinc/36/89/69/197368969.db2.gz WSWUGAVUVNNGNV-QWHCGFSZSA-N 1 0 304.463 2.579 20 70 DFIDRO CCCn1ccc2ccc(NC(=O)C[NH2+]C[C@@H]3CCCO3)cc21 ZINC000159851976 197368745 /nfs/dbraw/zinc/36/87/45/197368745.db2.gz LDXWUPOBYRFHHX-INIZCTEOSA-N 1 0 315.417 2.758 20 70 DFIDRO COc1cccc(CNC(=O)[C@@H]([NH3+])C(C)C)c1OC1CCCC1 ZINC000159857910 197368838 /nfs/dbraw/zinc/36/88/38/197368838.db2.gz CLAFDARMJOVRNM-INIZCTEOSA-N 1 0 320.433 2.616 20 70 DFIDRO C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)C1CC[NH2+]CC1 ZINC000159835842 197367918 /nfs/dbraw/zinc/36/79/18/197367918.db2.gz NKMMDEXVWQCJJK-WBMJQRKESA-N 1 0 322.836 2.628 20 70 DFIDRO CCc1nc([C@@H](C)NC(=O)N2CCC[N@@H+](CC)CC2)cs1 ZINC000159849033 197367924 /nfs/dbraw/zinc/36/79/24/197367924.db2.gz PSMANIMOJXAVFP-GFCCVEGCSA-N 1 0 310.467 2.504 20 70 DFIDRO COc1ccc2oc(C[NH+]3CCC(CC(N)=O)CC3)cc2c1 ZINC000159843263 197367783 /nfs/dbraw/zinc/36/77/83/197367783.db2.gz OVOJWNCSQXKKRI-UHFFFAOYSA-N 1 0 302.374 2.529 20 70 DFIDRO C[NH+]1CCC(CCNC(=O)N2CCc3cccc(F)c3C2)CC1 ZINC000159781399 197364074 /nfs/dbraw/zinc/36/40/74/197364074.db2.gz OIEMEQRDCNEMBM-UHFFFAOYSA-N 1 0 319.424 2.625 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000159453992 197354867 /nfs/dbraw/zinc/35/48/67/197354867.db2.gz JBLDMXWNOOBQAF-CQDKDKBSSA-N 1 0 310.825 2.674 20 70 DFIDRO CC[C@@](C)(O)CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159409103 197351654 /nfs/dbraw/zinc/35/16/54/197351654.db2.gz LHZZECSNAVQLLV-LJQANCHMSA-N 1 0 318.461 2.566 20 70 DFIDRO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(OCC3CCOCC3)cc2)C1 ZINC000159412877 197351381 /nfs/dbraw/zinc/35/13/81/197351381.db2.gz MBVABOIMCRKTOD-CABCVRRESA-N 1 0 318.417 2.558 20 70 DFIDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccnc(C)c1Cl ZINC000159362449 542717371 /nfs/dbraw/zinc/71/73/71/542717371.db2.gz KRHXWQRLUINDTI-LBPRGKRZSA-N 1 0 310.829 2.991 20 70 DFIDRO OCC1(C[NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000160337371 542723105 /nfs/dbraw/zinc/72/31/05/542723105.db2.gz KQPUVYHPFBQPAZ-UHFFFAOYSA-N 1 0 321.218 2.859 20 70 DFIDRO Cc1noc(C)c1[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160441378 542723125 /nfs/dbraw/zinc/72/31/25/542723125.db2.gz SCFXSCDGTIOHTR-IUODEOHRSA-N 1 0 307.438 2.632 20 70 DFIDRO Brc1ccc(C[NH2+][C@H]2CCOC2)c2ncccc12 ZINC000160336663 542723195 /nfs/dbraw/zinc/72/31/95/542723195.db2.gz QRAHDHCBQTUVKA-NSHDSACASA-N 1 0 307.191 2.876 20 70 DFIDRO Cc1ccc(C(C)C)cc1OCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161157603 542727114 /nfs/dbraw/zinc/72/71/14/542727114.db2.gz LHTURUNXUJMNHX-HOTGVXAUSA-N 1 0 304.434 2.883 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000161060109 542727268 /nfs/dbraw/zinc/72/72/68/542727268.db2.gz DHQOWZHGXQXTDH-UONOGXRCSA-N 1 0 318.808 2.525 20 70 DFIDRO COc1ccccc1CC(C)(C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161264245 542727678 /nfs/dbraw/zinc/72/76/78/542727678.db2.gz MACOCHOLFLUNOV-GJZGRUSLSA-N 1 0 304.434 2.650 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000161253342 542727864 /nfs/dbraw/zinc/72/78/64/542727864.db2.gz OCQTVMBXYIBIOM-GXFFZTMASA-N 1 0 311.223 2.615 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000161253102 542727878 /nfs/dbraw/zinc/72/78/78/542727878.db2.gz OCQTVMBXYIBIOM-ZWNOBZJWSA-N 1 0 311.223 2.615 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)C1 ZINC000161397765 542729857 /nfs/dbraw/zinc/72/98/57/542729857.db2.gz FQESAPQPALFMRQ-ZIAGYGMSSA-N 1 0 308.809 2.689 20 70 DFIDRO Cc1cc(Br)ccc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160888566 542725713 /nfs/dbraw/zinc/72/57/13/542725713.db2.gz ZYDUIOMDBQSIMN-NEPJUHHUSA-N 1 0 311.223 2.757 20 70 DFIDRO Cc1ccc(CCNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000217224337 542876320 /nfs/dbraw/zinc/87/63/20/542876320.db2.gz FFINYJJECQWTQB-IAGOWNOFSA-N 1 0 317.477 2.957 20 70 DFIDRO CC[NH+](CC)CCNC(=O)Nc1cccc(Br)c1 ZINC000217275735 542876350 /nfs/dbraw/zinc/87/63/50/542876350.db2.gz PLRWOEIZLVBEBR-UHFFFAOYSA-N 1 0 314.227 2.912 20 70 DFIDRO Cc1ccc(CCNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000217225148 542876380 /nfs/dbraw/zinc/87/63/80/542876380.db2.gz SETBDDVVRKQRNR-SJORKVTESA-N 1 0 317.477 2.957 20 70 DFIDRO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000217223284 542876408 /nfs/dbraw/zinc/87/64/08/542876408.db2.gz DOJYRIHQHVLUSY-OWCLPIDISA-N 1 0 310.482 2.770 20 70 DFIDRO Cc1ccc(SCC[N@@H+](C)CCN2CCOCC2)cc1C ZINC000217198118 542876677 /nfs/dbraw/zinc/87/66/77/542876677.db2.gz RPNRSEKVUSPJCZ-UHFFFAOYSA-N 1 0 308.491 2.660 20 70 DFIDRO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000218674416 542878978 /nfs/dbraw/zinc/87/89/78/542878978.db2.gz LNBCLTIOLNBQQJ-YCPHGPKFSA-N 1 0 302.418 2.747 20 70 DFIDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2C#N)C1)c1cnn(C)c1 ZINC000159479187 145219756 /nfs/dbraw/zinc/21/97/56/145219756.db2.gz INEFRRHOVBCRRB-RHSMWYFYSA-N 1 0 309.417 2.611 20 70 DFIDRO O=C(NCC[NH+]1CCCCC1)NCC1(c2cccc(F)c2)CC1 ZINC000160797002 145221779 /nfs/dbraw/zinc/22/17/79/145221779.db2.gz BDZFDPCULNAFAJ-UHFFFAOYSA-N 1 0 319.424 2.642 20 70 DFIDRO C[C@@H]([NH2+]Cc1nccn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249335 268139563 /nfs/dbraw/zinc/13/95/63/268139563.db2.gz CQANBHTVVFFUGW-ZIAGYGMSSA-N 1 0 322.453 2.545 20 70 DFIDRO CC[C@H](O)CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000218763785 268139673 /nfs/dbraw/zinc/13/96/73/268139673.db2.gz FDUDGPNLHUWAOZ-MJBXVCDLSA-N 1 0 300.443 2.573 20 70 DFIDRO CCn1ccnc1C[NH2+][C@@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC000217803890 268139823 /nfs/dbraw/zinc/13/98/23/268139823.db2.gz SETKRNRGPWMIIY-CQSZACIVSA-N 1 0 324.469 2.932 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)CC2 ZINC000160419688 425981759 /nfs/dbraw/zinc/98/17/59/425981759.db2.gz NVUXVCRGEYBJOO-GXFFZTMASA-N 1 0 322.359 2.854 20 70 DFIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(OC)cc1 ZINC000160420545 425982063 /nfs/dbraw/zinc/98/20/63/425982063.db2.gz INYSOBHKOIMWNU-GOEBONIOSA-N 1 0 300.406 2.651 20 70 DFIDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(N2CCOC2=O)cc1 ZINC000160483343 425983925 /nfs/dbraw/zinc/98/39/25/425983925.db2.gz MFVJKOHSZUEROY-KMFMINBZSA-N 1 0 318.417 2.845 20 70 DFIDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160471082 425984215 /nfs/dbraw/zinc/98/42/15/425984215.db2.gz AXDFTXJIGGPJTJ-WWGRRREGSA-N 1 0 314.433 2.692 20 70 DFIDRO Cc1ccccc1C[N@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000160518171 425985225 /nfs/dbraw/zinc/98/52/25/425985225.db2.gz ARXGQDGNLXMDNL-UHFFFAOYSA-N 1 0 317.458 2.920 20 70 DFIDRO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160527392 425985411 /nfs/dbraw/zinc/98/54/11/425985411.db2.gz WNARQSYWUCYUSS-JSGCOSHPSA-N 1 0 300.406 2.651 20 70 DFIDRO COc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000160549680 425986360 /nfs/dbraw/zinc/98/63/60/425986360.db2.gz YURAYHPUNMHVOM-UHFFFAOYSA-N 1 0 316.361 2.706 20 70 DFIDRO CO[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000161027414 426005724 /nfs/dbraw/zinc/00/57/24/426005724.db2.gz RNFRMZPZLOHPFZ-RYUDHWBXSA-N 1 0 303.233 2.932 20 70 DFIDRO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCC2CCCC2)CC1 ZINC000160577219 425988373 /nfs/dbraw/zinc/98/83/73/425988373.db2.gz JFACCGZSXPNNEK-INIZCTEOSA-N 1 0 321.509 2.632 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](Cc1ccc(C)cc1)C1CC1)CC2 ZINC000160584405 425988520 /nfs/dbraw/zinc/98/85/20/425988520.db2.gz MXSPWGDHCKSLLK-MSOLQXFVSA-N 1 0 310.445 2.821 20 70 DFIDRO CCN(C(C)=O)c1nc(C[NH2+][C@H]2CCOC(C)(C)C2)cs1 ZINC000160624902 425989619 /nfs/dbraw/zinc/98/96/19/425989619.db2.gz GPEVXGIRGLQLQU-LBPRGKRZSA-N 1 0 311.451 2.563 20 70 DFIDRO CC(C)[C@H](C)NC(=O)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160761235 425995588 /nfs/dbraw/zinc/99/55/88/425995588.db2.gz NXHBHGCKKWCBNU-KRWDZBQOSA-N 1 0 323.525 2.735 20 70 DFIDRO O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(F)c(Br)c1 ZINC000160807045 425996598 /nfs/dbraw/zinc/99/65/98/425996598.db2.gz NTAYWYOOKRBINO-SECBINFHSA-N 1 0 315.186 2.916 20 70 DFIDRO CC(C)NC(=O)CN[C@@H](C)c1ccc(F)cc1Br ZINC000160930534 426001830 /nfs/dbraw/zinc/00/18/30/426001830.db2.gz CXLDIYVZFSNFIY-VIFPVBQESA-N 1 0 317.202 2.763 20 70 DFIDRO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)N(C1CC1)C1CCCC1 ZINC000160916211 426001878 /nfs/dbraw/zinc/00/18/78/426001878.db2.gz VBBUTDRVWSXBKD-BEFAXECRSA-N 1 0 320.477 2.547 20 70 DFIDRO CC(C)[NH+]1CCC(NC(=O)NC2(c3cccc(F)c3)CC2)CC1 ZINC000160920953 426002008 /nfs/dbraw/zinc/00/20/08/426002008.db2.gz YLKSVGINZSYLNR-UHFFFAOYSA-N 1 0 319.424 2.987 20 70 DFIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)CSC(C)(C)C)cc1 ZINC000160984369 426004218 /nfs/dbraw/zinc/00/42/18/426004218.db2.gz ZLNZXSLXQUWQIO-ZDUSSCGKSA-N 1 0 324.490 2.821 20 70 DFIDRO CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000159414833 425960320 /nfs/dbraw/zinc/96/03/20/425960320.db2.gz LIWLAYWHAVBQPY-MRXNPFEDSA-N 1 0 320.433 2.804 20 70 DFIDRO COc1ccccc1[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000159466669 425960459 /nfs/dbraw/zinc/96/04/59/425960459.db2.gz UUSIBVAHLSKPHN-LPHOPBHVSA-N 1 0 324.424 2.900 20 70 DFIDRO CCc1nc2c(s1)[C@@H]([NH2+]CCCN1CCCC1=O)CCC2 ZINC000159525283 425961908 /nfs/dbraw/zinc/96/19/08/425961908.db2.gz JBJCONHXFWDVHX-LBPRGKRZSA-N 1 0 307.463 2.685 20 70 DFIDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159542635 425962484 /nfs/dbraw/zinc/96/24/84/425962484.db2.gz LNCILQWMOYXWHU-HOCLYGCPSA-N 1 0 310.482 2.506 20 70 DFIDRO Cc1ccc(C[C@@H]([NH2+]CCCN2CCCC2=O)C2CC2)cc1 ZINC000159591640 425963377 /nfs/dbraw/zinc/96/33/77/425963377.db2.gz JHNIYBUNVKICGJ-GOSISDBHSA-N 1 0 300.446 2.918 20 70 DFIDRO CCCCOc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000159622661 425964186 /nfs/dbraw/zinc/96/41/86/425964186.db2.gz LBHIOYJPFRWPRA-HOCLYGCPSA-N 1 0 304.434 2.951 20 70 DFIDRO C[C@@H]1SCCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000159682492 425965332 /nfs/dbraw/zinc/96/53/32/425965332.db2.gz SZJUZLSTFJAYRB-QRTARXTBSA-N 1 0 304.459 2.834 20 70 DFIDRO [NH3+]C1(CNC(=O)Cc2ccc3c(c2)CCCC3)CCCCC1 ZINC000159690446 425965759 /nfs/dbraw/zinc/96/57/59/425965759.db2.gz YHZDJTITCSKZMW-UHFFFAOYSA-N 1 0 300.446 2.886 20 70 DFIDRO O=C(NCC[NH2+]C1CCCCCC1)[C@H]1C[C@H]1c1cccnc1 ZINC000159678607 425965884 /nfs/dbraw/zinc/96/58/84/425965884.db2.gz TVTUXOYHPLJAIZ-IRXDYDNUSA-N 1 0 301.434 2.614 20 70 DFIDRO O=C(NC[C@H]1CCc2ccccc21)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000159730132 425966670 /nfs/dbraw/zinc/96/66/70/425966670.db2.gz GHKZIKBRCJNLJQ-IEBWSBKVSA-N 1 0 306.409 2.547 20 70 DFIDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000159764072 425967430 /nfs/dbraw/zinc/96/74/30/425967430.db2.gz FDMTUDOGAIBLTQ-MSOLQXFVSA-N 1 0 308.441 2.883 20 70 DFIDRO CCCC[N@H+](C)CCNC(=O)N(C)[C@@H](CC)c1ccncc1 ZINC000159813209 425967985 /nfs/dbraw/zinc/96/79/85/425967985.db2.gz BFACYYJCORNCCD-INIZCTEOSA-N 1 0 306.454 2.906 20 70 DFIDRO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159842820 425969225 /nfs/dbraw/zinc/96/92/25/425969225.db2.gz XPIYDAGSOQADNT-INIZCTEOSA-N 1 0 317.477 2.831 20 70 DFIDRO C[C@@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)[NH+]1CCCCCC1 ZINC000159889266 425969825 /nfs/dbraw/zinc/96/98/25/425969825.db2.gz ZRDFYBYHNYJTIW-HOTGVXAUSA-N 1 0 308.466 2.859 20 70 DFIDRO CCN(CC)[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159908684 425970963 /nfs/dbraw/zinc/97/09/63/425970963.db2.gz FWPLXSBQBCYIHD-KRWDZBQOSA-N 1 0 323.525 2.687 20 70 DFIDRO CCOC[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159988115 425971510 /nfs/dbraw/zinc/97/15/10/425971510.db2.gz HFHPFFCFVSTWGF-MRXNPFEDSA-N 1 0 310.482 2.630 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)CC1 ZINC000159968825 425971580 /nfs/dbraw/zinc/97/15/80/425971580.db2.gz ZMKOBIMBYRMOQF-AWEZNQCLSA-N 1 0 307.413 2.932 20 70 DFIDRO CCS[C@H]1CCCC[C@@H]1NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159954725 425971770 /nfs/dbraw/zinc/97/17/70/425971770.db2.gz WJLAIFYYIAYTFG-GJZGRUSLSA-N 1 0 313.511 2.788 20 70 DFIDRO CCCS(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160018563 425973284 /nfs/dbraw/zinc/97/32/84/425973284.db2.gz DXIORVWYKARHHM-NVXWUHKLSA-N 1 0 324.490 2.711 20 70 DFIDRO CC[C@H](C)N(C)CC[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000160074088 425973798 /nfs/dbraw/zinc/97/37/98/425973798.db2.gz BCDYYVVGCWJOCV-AWEZNQCLSA-N 1 0 310.511 2.740 20 70 DFIDRO O=C(NCCCO[C@@H]1CCCc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000160123797 425975356 /nfs/dbraw/zinc/97/53/56/425975356.db2.gz RBFWDJWNWYUIIO-QZTJIDSGSA-N 1 0 316.445 2.729 20 70 DFIDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCOC1 ZINC000160137353 425975413 /nfs/dbraw/zinc/97/54/13/425975413.db2.gz UOACFXBFYYPYPH-FVQBIDKESA-N 1 0 317.408 2.681 20 70 DFIDRO CN(Cc1cccn1C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000160130892 425975664 /nfs/dbraw/zinc/97/56/64/425975664.db2.gz QPWGAIHVJBKNHO-UHFFFAOYSA-N 1 0 320.481 2.823 20 70 DFIDRO CC(C)OC(=O)[C@H](C)N(C)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000160178667 425976426 /nfs/dbraw/zinc/97/64/26/425976426.db2.gz BRAVETFSKIWMEK-AWEZNQCLSA-N 1 0 310.413 2.529 20 70 DFIDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCCCO1 ZINC000160273060 425978275 /nfs/dbraw/zinc/97/82/75/425978275.db2.gz 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ZINC000161439275 426024738 /nfs/dbraw/zinc/02/47/38/426024738.db2.gz TVRIYOBGCOASNV-YJBOKZPZSA-N 1 0 310.397 2.711 20 70 DFIDRO Cc1ccccc1[C@H]1CN(C(=O)CC[NH2+]C(C)C)[C@@H](C)CO1 ZINC000161468930 426024944 /nfs/dbraw/zinc/02/49/44/426024944.db2.gz GDVUQBFILBZOTB-DOTOQJQBSA-N 1 0 304.434 2.672 20 70 DFIDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCCO1)Cc1ccccc1 ZINC000161466187 426026021 /nfs/dbraw/zinc/02/60/21/426026021.db2.gz HMZDBKVGZPFAAU-MSOLQXFVSA-N 1 0 318.461 2.625 20 70 DFIDRO CC1CC[NH+](CCSc2nnc(-c3ccco3)n2C)CC1 ZINC000161487201 426026164 /nfs/dbraw/zinc/02/61/64/426026164.db2.gz XVTMGXKWJRSWSJ-UHFFFAOYSA-N 1 0 306.435 2.899 20 70 DFIDRO C[NH2+]C[C@H]1CCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161494398 426026252 /nfs/dbraw/zinc/02/62/52/426026252.db2.gz RPXHRSXLBYDHQF-LLVKDONJSA-N 1 0 301.203 2.630 20 70 DFIDRO COc1ccc(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1Cl ZINC000161494637 426026376 /nfs/dbraw/zinc/02/63/76/426026376.db2.gz WCIRUZRVNSJFHQ-LBPRGKRZSA-N 1 0 324.852 2.991 20 70 DFIDRO CS[C@H](C)CC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000161046888 426007033 /nfs/dbraw/zinc/00/70/33/426007033.db2.gz GXOHFIWZFMHGCM-CQSZACIVSA-N 1 0 321.490 2.514 20 70 DFIDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000161059170 426007081 /nfs/dbraw/zinc/00/70/81/426007081.db2.gz SYBPOTVFDUATCD-UXIGCNINSA-N 1 0 310.825 2.532 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000161072169 426007561 /nfs/dbraw/zinc/00/75/61/426007561.db2.gz OWSWCDHOCJKEOP-GFCCVEGCSA-N 1 0 310.467 2.866 20 70 DFIDRO C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)C[NH+]1CCCC1 ZINC000161072866 426007678 /nfs/dbraw/zinc/00/76/78/426007678.db2.gz WXOZHDWISPWFFH-BJJXKVORSA-N 1 0 322.399 2.916 20 70 DFIDRO CC(C)[C@@H](C(=O)N1CCC(OCc2ccccc2)CC1)[NH+](C)C ZINC000161148943 426009935 /nfs/dbraw/zinc/00/99/35/426009935.db2.gz VPTZMFXWGSKFNH-SFHVURJKSA-N 1 0 318.461 2.780 20 70 DFIDRO CCCC[C@H](COC)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161164638 426011631 /nfs/dbraw/zinc/01/16/31/426011631.db2.gz 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DFIDRO CCC[C@H](C(=O)Nc1ccc(/C=C/C(=O)OCC)cc1)[NH+](C)C ZINC000161344773 426020175 /nfs/dbraw/zinc/02/01/75/426020175.db2.gz GOEUGKFMROAPGY-QSOAKEGCSA-N 1 0 318.417 2.932 20 70 DFIDRO Clc1cccc(OCC[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161332364 426020238 /nfs/dbraw/zinc/02/02/38/426020238.db2.gz OZMNPJLTKKKUNW-UHFFFAOYSA-N 1 0 311.809 2.994 20 70 DFIDRO CC(C)n1nccc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000161358487 426020961 /nfs/dbraw/zinc/02/09/61/426020961.db2.gz OYSZVVAEZXOMBQ-HUUCEWRRSA-N 1 0 320.481 2.950 20 70 DFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000161393734 426021966 /nfs/dbraw/zinc/02/19/66/426021966.db2.gz LUZJDWYRPVPAKW-CQSZACIVSA-N 1 0 317.433 2.562 20 70 DFIDRO COc1cccc(/C(C)=C/C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000161385940 426022209 /nfs/dbraw/zinc/02/22/09/426022209.db2.gz ALATVLYOXPWASQ-WSNCRLRVSA-N 1 0 314.429 2.840 20 70 DFIDRO Cc1ccc([C@@H](C[NH2+]C2CCC3(CC2)OCCO3)N(C)C)cc1 ZINC000161378700 426022320 /nfs/dbraw/zinc/02/23/20/426022320.db2.gz YDZBEGKJRMGQLC-GOSISDBHSA-N 1 0 318.461 2.873 20 70 DFIDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000217864106 426565282 /nfs/dbraw/zinc/56/52/82/426565282.db2.gz BRSOMXBQRRJUHJ-LBPRGKRZSA-N 1 0 322.243 2.792 20 70 DFIDRO C[C@H]([NH2+]Cc1cc[nH]n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218177364 426565975 /nfs/dbraw/zinc/56/59/75/426565975.db2.gz LNHRVRYAKFAROO-STQMWFEESA-N 1 0 308.426 2.535 20 70 DFIDRO C[C@H]([NH2+]Cc1cnc[nH]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218177037 426566094 /nfs/dbraw/zinc/56/60/94/426566094.db2.gz JUVNBVUCISQGSU-STQMWFEESA-N 1 0 308.426 2.535 20 70 DFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000217862975 426566176 /nfs/dbraw/zinc/56/61/76/426566176.db2.gz BIBWPSWJRQRZKM-SNVBAGLBSA-N 1 0 313.785 2.708 20 70 DFIDRO C[C@@H]([NH2+]Cc1ncc[nH]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249159 426568270 /nfs/dbraw/zinc/56/82/70/426568270.db2.gz LGUUGDGPLJCSKU-OLZOCXBDSA-N 1 0 308.426 2.535 20 70 DFIDRO 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RRZXVZSHFPLBIF-UHFFFAOYSA-N 1 0 311.495 2.948 20 70 DFIDRO CC(C)[NH+](CCCNC(=O)NC1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000159833425 295382722 /nfs/dbraw/zinc/38/27/22/295382722.db2.gz POQWNWZQCQEWCW-GJZGRUSLSA-N 1 0 313.486 2.751 20 70 DFIDRO COc1cc([C@@H](C)[NH2+]Cc2cn(C)nc2C)cc(OC)c1OC ZINC000160121408 295386967 /nfs/dbraw/zinc/38/69/67/295386967.db2.gz LFPPJEDTTRVGPB-LLVKDONJSA-N 1 0 319.405 2.605 20 70 DFIDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCc3cccc(F)c3C2)C1 ZINC000160175637 295387224 /nfs/dbraw/zinc/38/72/24/295387224.db2.gz SEJKPYPRCQQHFJ-GJZGRUSLSA-N 1 0 319.424 2.766 20 70 DFIDRO CC[N@H+](C)CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000160148143 295387353 /nfs/dbraw/zinc/38/73/53/295387353.db2.gz XRQACKIDENZWSO-UHFFFAOYSA-N 1 0 322.412 2.983 20 70 DFIDRO COc1ccc(C[C@@H](C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000160250803 295388734 /nfs/dbraw/zinc/38/87/34/295388734.db2.gz YQJWAQGZTLIYAU-WBVHZDCISA-N 1 0 320.477 2.966 20 70 DFIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000160251381 295388798 /nfs/dbraw/zinc/38/87/98/295388798.db2.gz CFUKYGHRNUZBNQ-JSGCOSHPSA-N 1 0 311.447 2.613 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@]1(C)CCCS1 ZINC000160280705 295389345 /nfs/dbraw/zinc/38/93/45/295389345.db2.gz LKNLIWAXWCEGKI-GDBMZVCRSA-N 1 0 313.511 2.692 20 70 DFIDRO C[C@H](C(=O)N(C)c1ccc2c(c1)OCO2)[NH+]1CCCCCC1 ZINC000160350803 295390124 /nfs/dbraw/zinc/39/01/24/295390124.db2.gz SICQNYJURQAKLH-CYBMUJFWSA-N 1 0 304.390 2.643 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)OCc1ccccc1 ZINC000160426010 295390999 /nfs/dbraw/zinc/39/09/99/295390999.db2.gz KBOWZHWRMMQAHL-FUHWJXTLSA-N 1 0 318.461 2.828 20 70 DFIDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160473636 295391488 /nfs/dbraw/zinc/39/14/88/295391488.db2.gz ADBFIZHDJIMKNU-UXLLHSPISA-N 1 0 304.434 2.853 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1ccccc1F ZINC000160570199 295393137 /nfs/dbraw/zinc/39/31/37/295393137.db2.gz CEZITMJCLVTXLZ-OAHLLOKOSA-N 1 0 322.424 2.831 20 70 DFIDRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC(C)(C)O ZINC000160608202 295393407 /nfs/dbraw/zinc/39/34/07/295393407.db2.gz DZHXUACNRMNKTG-SECBINFHSA-N 1 0 304.203 2.880 20 70 DFIDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)CC[NH2+]C(C)C)cc1 ZINC000161101250 295398769 /nfs/dbraw/zinc/39/87/69/295398769.db2.gz BVPMZNZIKXNNKD-HKUYNNGSSA-N 1 0 318.461 2.967 20 70 DFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)CC(F)(F)F)c1 ZINC000161495401 295403906 /nfs/dbraw/zinc/40/39/06/295403906.db2.gz SVBVIKNRDTUOOH-ZJUUUORDSA-N 1 0 324.368 2.586 20 70 DFIDRO Cc1cc(O[C@H](C)C(=O)N2CCC[C@@H]2C[NH3+])ccc1C(C)C ZINC000160377050 301378422 /nfs/dbraw/zinc/37/84/22/301378422.db2.gz OQPNQNNZOYIJMH-HUUCEWRRSA-N 1 0 304.434 2.835 20 70 DFIDRO C=CCCS(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160946728 333369884 /nfs/dbraw/zinc/36/98/84/333369884.db2.gz WJWAKERJLSOKKD-UHFFFAOYSA-N 1 0 314.495 2.525 20 70 DFIDRO CCOC(=O)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000160523289 520876171 /nfs/dbraw/zinc/87/61/71/520876171.db2.gz CGAIITWBIXWANS-YOEHRIQHSA-N 1 0 320.433 2.527 20 70 DFIDRO C[NH+](C)[C@@H]1CCN(C(=O)NCc2cccc(-c3ccccn3)c2)C1 ZINC000160354667 522053444 /nfs/dbraw/zinc/05/34/44/522053444.db2.gz RBEXUILWQGERHR-QGZVFWFLSA-N 1 0 324.428 2.594 20 70 DFIDRO CN(C(=O)c1cccc(C(F)(F)F)c1F)[C@H](C[NH3+])C1CC1 ZINC000159829565 523943268 /nfs/dbraw/zinc/94/32/68/523943268.db2.gz BVIRJNXYPITKRW-LLVKDONJSA-N 1 0 304.287 2.654 20 70 DFIDRO C[C@@H](C[NH2+][C@@H](C)C1CCOCC1)N1CCc2ccccc2C1 ZINC000159840326 524747538 /nfs/dbraw/zinc/74/75/38/524747538.db2.gz AIEHWXZAQFCGDR-HOTGVXAUSA-N 1 0 302.462 2.838 20 70 DFIDRO Cc1n[nH]c(C)c1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160207551 526493318 /nfs/dbraw/zinc/49/33/18/526493318.db2.gz WUNFTUSHYDASMQ-MRXNPFEDSA-N 1 0 315.417 2.913 20 70 DFIDRO O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1ccc(F)cc1 ZINC000160516132 526494751 /nfs/dbraw/zinc/49/47/51/526494751.db2.gz RZCMKJMJZGFBJB-RDTXWAMCSA-N 1 0 320.408 2.781 20 70 DFIDRO O=C(c1cc(C(F)(F)F)ccc1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160303399 526600797 /nfs/dbraw/zinc/60/07/97/526600797.db2.gz PZQFQYFZRPIMDC-PHIMTYICSA-N 1 0 316.298 2.811 20 70 DFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(O)cc2Cl)C1 ZINC000159563247 535135837 /nfs/dbraw/zinc/13/58/37/535135837.db2.gz QXCITWYESZXKNO-CYBMUJFWSA-N 1 0 324.852 2.682 20 70 DFIDRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000159532671 186125469 /nfs/dbraw/zinc/12/54/69/186125469.db2.gz QCZBAVKEDFCJDY-ZHALLVOQSA-N 1 0 316.445 2.579 20 70 DFIDRO COCc1cc([C@H](C)[NH2+]CCCN2CCCC2=O)ccc1OC ZINC000159547258 186126206 /nfs/dbraw/zinc/12/62/06/186126206.db2.gz NYYAZHBZVHHQPG-AWEZNQCLSA-N 1 0 320.433 2.505 20 70 DFIDRO COCc1cc([C@@H](C)[NH2+]CCCN2CCCC2=O)ccc1OC ZINC000159547403 186126294 /nfs/dbraw/zinc/12/62/94/186126294.db2.gz NYYAZHBZVHHQPG-CQSZACIVSA-N 1 0 320.433 2.505 20 70 DFIDRO C[C@H](CSCc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000159544610 186126472 /nfs/dbraw/zinc/12/64/72/186126472.db2.gz GGCKBQYPMLOZOM-ZBFHGGJFSA-N 1 0 306.475 2.624 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000159555856 186126747 /nfs/dbraw/zinc/12/67/47/186126747.db2.gz SHCDEFUWGUQNJM-HNNXBMFYSA-N 1 0 319.449 2.802 20 70 DFIDRO CC(C)N(C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159567955 186127620 /nfs/dbraw/zinc/12/76/20/186127620.db2.gz IFGWWBBTWMMARS-RDJZCZTQSA-N 1 0 304.434 2.521 20 70 DFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000159630195 186131835 /nfs/dbraw/zinc/13/18/35/186131835.db2.gz WUKFBOGDODBLQV-UHFFFAOYSA-N 1 0 323.368 2.776 20 70 DFIDRO COCCC1(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CCC1 ZINC000159641436 186132557 /nfs/dbraw/zinc/13/25/57/186132557.db2.gz UPFVPEFMLZIMJW-MRXNPFEDSA-N 1 0 322.424 2.751 20 70 DFIDRO COCc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000159672041 186134616 /nfs/dbraw/zinc/13/46/16/186134616.db2.gz QHBXMPNEBNLUGM-RDJZCZTQSA-N 1 0 317.433 2.781 20 70 DFIDRO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1C ZINC000159674259 186134901 /nfs/dbraw/zinc/13/49/01/186134901.db2.gz BKPDWRHJTTURGS-NJAFHUGGSA-N 1 0 318.461 2.573 20 70 DFIDRO CCC(CC)(C[NH2+]CC(=O)Nc1ccc(C)cc1C)C(=O)OC ZINC000159685714 186135314 /nfs/dbraw/zinc/13/53/14/186135314.db2.gz DACPEGACVYBJFW-UHFFFAOYSA-N 1 0 320.433 2.811 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)NCC1(Sc2ccccc2)CC1 ZINC000159705191 186137049 /nfs/dbraw/zinc/13/70/49/186137049.db2.gz PDXQXFGREGYGTE-CYBMUJFWSA-N 1 0 310.488 2.508 20 70 DFIDRO COc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1OC(C)C ZINC000159734149 186138207 /nfs/dbraw/zinc/13/82/07/186138207.db2.gz FXZMTDVGKUNWDF-UHFFFAOYSA-N 1 0 320.433 2.570 20 70 DFIDRO CN(C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)C1(C#N)CCCCC1 ZINC000159631121 398964644 /nfs/dbraw/zinc/96/46/44/398964644.db2.gz RGENRKHPJCIWCX-HOTGVXAUSA-N 1 0 303.450 2.936 20 70 DFIDRO C[C@@H](Cc1ccccc1F)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000159494327 398964798 /nfs/dbraw/zinc/96/47/98/398964798.db2.gz KCCBBIYFNSMMES-XJKSGUPXSA-N 1 0 304.409 2.605 20 70 DFIDRO Cc1csc2nc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)cc(=O)n12 ZINC000159643291 398966301 /nfs/dbraw/zinc/96/63/01/398966301.db2.gz VHMLNYZCTAYHKD-JSGCOSHPSA-N 1 0 303.431 2.829 20 70 DFIDRO COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159634080 398965211 /nfs/dbraw/zinc/96/52/11/398965211.db2.gz FNCGERBCEKLYIZ-BBRMVZONSA-N 1 0 316.401 2.676 20 70 DFIDRO COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159731257 398966620 /nfs/dbraw/zinc/96/66/20/398966620.db2.gz NDTYKDPDCSPNTC-YJBOKZPZSA-N 1 0 316.445 2.714 20 70 DFIDRO COc1ccc(C[NH2+]C(C)(C)[C@H](C)O)cc1Br ZINC000161140822 197468923 /nfs/dbraw/zinc/46/89/23/197468923.db2.gz HAPZFVZFLACZHB-VIFPVBQESA-N 1 0 302.212 2.707 20 70 DFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000160314218 197399869 /nfs/dbraw/zinc/39/98/69/197399869.db2.gz RTDCQVLJWVUTJZ-KRWDZBQOSA-N 1 0 323.396 2.502 20 70 DFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(Cl)nc(N)n1 ZINC000160244388 197394977 /nfs/dbraw/zinc/39/49/77/197394977.db2.gz NRJDDLGXWVHTND-AAEUAGOBSA-N 1 0 317.824 2.645 20 70 DFIDRO CCSCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160230175 197393964 /nfs/dbraw/zinc/39/39/64/197393964.db2.gz XMTMXJSOEFLICC-CQSZACIVSA-N 1 0 311.426 2.775 20 70 DFIDRO CCC[C@H]([NH2+][C@@H](C)CCOC)C(=O)N1CCc2sccc2C1 ZINC000160198469 197392386 /nfs/dbraw/zinc/39/23/86/197392386.db2.gz AQKAFGHWORQBDO-ZFWWWQNUSA-N 1 0 324.490 2.816 20 70 DFIDRO Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160145538 197389274 /nfs/dbraw/zinc/38/92/74/197389274.db2.gz HCHGMPKPSNMDQG-CYBMUJFWSA-N 1 0 301.415 2.682 20 70 DFIDRO CN(Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H](C[NH3+])C1CC1 ZINC000160065921 197383499 /nfs/dbraw/zinc/38/34/99/197383499.db2.gz FPHRRBBPYLGQOV-ZDUSSCGKSA-N 1 0 306.797 2.559 20 70 DFIDRO COc1cccc(Cl)c1CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000160137654 197388011 /nfs/dbraw/zinc/38/80/11/197388011.db2.gz GAJJDOIWXZLWNW-DOMZBBRYSA-N 1 0 324.852 2.690 20 70 DFIDRO CC(C)Cc1ccc(CCC(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000160103737 197386626 /nfs/dbraw/zinc/38/66/26/197386626.db2.gz BSRADEAOEJEDCS-SFHVURJKSA-N 1 0 302.462 2.886 20 70 DFIDRO CC[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cnn(C)c1 ZINC000160110124 197386371 /nfs/dbraw/zinc/38/63/71/197386371.db2.gz CZQVBSQDWATATK-QGZVFWFLSA-N 1 0 304.413 2.732 20 70 DFIDRO CCc1ccc(-c2nc(CC(=O)NCC(C)(C)[NH3+])cs2)cc1 ZINC000159928213 197374223 /nfs/dbraw/zinc/37/42/23/197374223.db2.gz KUZSJNCROAPBNR-UHFFFAOYSA-N 1 0 317.458 2.769 20 70 DFIDRO CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159787623 197364575 /nfs/dbraw/zinc/36/45/75/197364575.db2.gz XMWZZJCORVPQPT-CQSZACIVSA-N 1 0 305.466 2.878 20 70 DFIDRO Cc1ccc(C(=O)CCN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000159781382 197364687 /nfs/dbraw/zinc/36/46/87/197364687.db2.gz KSBRZJJHBLWZCR-QGZVFWFLSA-N 1 0 300.446 2.986 20 70 DFIDRO COc1ccc(OC)c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159488627 197358245 /nfs/dbraw/zinc/35/82/45/197358245.db2.gz VIVGVJRZWRQZIF-UAGQMJEPSA-N 1 0 303.402 2.751 20 70 DFIDRO O=C(c1cccc2nc[nH]c21)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000159709270 197361998 /nfs/dbraw/zinc/36/19/98/197361998.db2.gz JQNDVTLHOCGEGX-CQSZACIVSA-N 1 0 312.417 2.511 20 70 DFIDRO COc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000159560705 197361626 /nfs/dbraw/zinc/36/16/26/197361626.db2.gz WIJUSUYHXRQEDM-JQFCIGGWSA-N 1 0 303.402 2.751 20 70 DFIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cccc(OC(F)F)c1 ZINC000159511664 197360076 /nfs/dbraw/zinc/36/00/76/197360076.db2.gz WPPCUVJUIORDNN-LBPRGKRZSA-N 1 0 312.360 2.951 20 70 DFIDRO Cc1cnc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC000159406235 197351371 /nfs/dbraw/zinc/35/13/71/197351371.db2.gz NZKNDBIJOXATIP-UONOGXRCSA-N 1 0 324.494 2.932 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000161294719 295600381 /nfs/dbraw/zinc/60/03/81/295600381.db2.gz RTPUWOJNHITMQX-IJEWVQPXSA-N 1 0 306.475 2.780 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000161294601 295600403 /nfs/dbraw/zinc/60/04/03/295600403.db2.gz RTPUWOJNHITMQX-IIAWOOMASA-N 1 0 306.475 2.780 20 70 DFIDRO COCCN(C)CC[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000159371020 284959586 /nfs/dbraw/zinc/95/95/86/284959586.db2.gz DWJOKHDAZXAGNF-KRWDZBQOSA-N 1 0 306.450 2.685 20 70 DFIDRO O=C(CCCc1ccccn1)NCC[NH2+]C1CCCCCC1 ZINC000159628766 542718971 /nfs/dbraw/zinc/71/89/71/542718971.db2.gz RDTQAFBZEXIOCP-UHFFFAOYSA-N 1 0 303.450 2.833 20 70 DFIDRO CC[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000159681151 542719602 /nfs/dbraw/zinc/71/96/02/542719602.db2.gz ILFGDYHWTGSXKK-INIZCTEOSA-N 1 0 318.396 2.716 20 70 DFIDRO CN(Cc1nc2cc(Br)ccc2[nH]1)C[C@@H](O)C1CC1 ZINC000160068150 542721049 /nfs/dbraw/zinc/72/10/49/542721049.db2.gz XPYZIMKIOHWTTE-CYBMUJFWSA-N 1 0 324.222 2.528 20 70 DFIDRO CC(C)OCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000160202624 542721755 /nfs/dbraw/zinc/72/17/55/542721755.db2.gz BVBNAIKNXNEKLJ-LBPRGKRZSA-N 1 0 322.232 2.748 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cnn(-c3ccccc3)c2C2CC2)C1 ZINC000161075625 542726921 /nfs/dbraw/zinc/72/69/21/542726921.db2.gz NXIBCDDMYWNKPL-LSDHHAIUSA-N 1 0 324.428 2.749 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cnn(-c3ccccc3)c2C2CC2)C1 ZINC000161075881 542727000 /nfs/dbraw/zinc/72/70/00/542727000.db2.gz NXIBCDDMYWNKPL-HUUCEWRRSA-N 1 0 324.428 2.749 20 70 DFIDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CC(C)(C)CO ZINC000161234047 542727631 /nfs/dbraw/zinc/72/76/31/542727631.db2.gz CWJNBGUVNNUGHO-LLVKDONJSA-N 1 0 300.240 2.988 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(Br)ccc2F)C1 ZINC000161360839 542728643 /nfs/dbraw/zinc/72/86/43/542728643.db2.gz BKFVTNZTNDXRCU-VHSXEESVSA-N 1 0 315.186 2.588 20 70 DFIDRO C[C@@H](C(=O)NCCCOc1ccc2ccccc2c1)[NH+](C)C ZINC000160719599 542724119 /nfs/dbraw/zinc/72/41/19/542724119.db2.gz VQSPTNQOSMEKRG-AWEZNQCLSA-N 1 0 300.402 2.675 20 70 DFIDRO CCCN(CC)c1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160762669 542724168 /nfs/dbraw/zinc/72/41/68/542724168.db2.gz VTTKYMMCGXXRRG-HOTGVXAUSA-N 1 0 303.450 2.923 20 70 DFIDRO Cc1ccc(OCCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000160789980 542724451 /nfs/dbraw/zinc/72/44/51/542724451.db2.gz GQJDJQKFDREIPS-JKSUJKDBSA-N 1 0 304.434 2.849 20 70 DFIDRO Cc1cc(C)c(C)c(OCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160823624 542725005 /nfs/dbraw/zinc/72/50/05/542725005.db2.gz DGRVEBAKRQHTFF-HOTGVXAUSA-N 1 0 304.434 2.767 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(Oc3ccccc3)ccn2)C1 ZINC000160983662 542725879 /nfs/dbraw/zinc/72/58/79/542725879.db2.gz LQKOVLFJKUBQKV-ZIAGYGMSSA-N 1 0 311.385 2.874 20 70 DFIDRO CC[C@@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000217536892 542877072 /nfs/dbraw/zinc/87/70/72/542877072.db2.gz APOQFEAINSZIFQ-KGLIPLIRSA-N 1 0 310.463 2.560 20 70 DFIDRO Cc1ccc(CCNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000217225153 542876367 /nfs/dbraw/zinc/87/63/67/542876367.db2.gz SETBDDVVRKQRNR-IAGOWNOFSA-N 1 0 317.477 2.957 20 70 DFIDRO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000218675646 542878598 /nfs/dbraw/zinc/87/85/98/542878598.db2.gz MCRJECRGQHMNEV-JYYAWHABSA-N 1 0 316.445 2.993 20 70 DFIDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2C#N)C1)c1cnn(C)c1 ZINC000159479322 145219675 /nfs/dbraw/zinc/21/96/75/145219675.db2.gz INEFRRHOVBCRRB-YOEHRIQHSA-N 1 0 309.417 2.611 20 70 DFIDRO CCn1cc(C2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cn1 ZINC000160466446 145220510 /nfs/dbraw/zinc/22/05/10/145220510.db2.gz DYMLWSPYTSEEKK-UHFFFAOYSA-N 1 0 301.438 2.633 20 70 DFIDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)C(C)(C)C ZINC000160432387 145220696 /nfs/dbraw/zinc/22/06/96/145220696.db2.gz WAMPQKDLSXFTOH-CQSZACIVSA-N 1 0 324.490 2.995 20 70 DFIDRO C[C@H](CCc1cccc(F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160425180 145221076 /nfs/dbraw/zinc/22/10/76/145221076.db2.gz HKSSKHIGHNSTID-XYPHTWIQSA-N 1 0 304.409 2.747 20 70 DFIDRO CSC[C@](C)(O)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000217863219 146000370 /nfs/dbraw/zinc/00/03/70/146000370.db2.gz IBRIYUYITCQTDU-GFCCVEGCSA-N 1 0 309.353 2.789 20 70 DFIDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000159696928 267531186 /nfs/dbraw/zinc/53/11/86/267531186.db2.gz ASGKOIIWFZAOIZ-VXGBXAGGSA-N 1 0 318.343 2.682 20 70 DFIDRO C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249782 268139794 /nfs/dbraw/zinc/13/97/94/268139794.db2.gz SYXLBLCVAIJYRK-KBPBESRZSA-N 1 0 322.453 2.545 20 70 DFIDRO CN(C)C(C)(C)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000218092328 268140075 /nfs/dbraw/zinc/14/00/75/268140075.db2.gz OEAUWXILWQYWDW-UHFFFAOYSA-N 1 0 313.486 2.752 20 70 DFIDRO COCC(C)(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000160382732 425980379 /nfs/dbraw/zinc/98/03/79/425980379.db2.gz HYQBLKHAFBCKFF-MRXNPFEDSA-N 1 0 304.434 2.612 20 70 DFIDRO CC(C)(C)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160405515 425981719 /nfs/dbraw/zinc/98/17/19/425981719.db2.gz PNCFWTNLCAEXFO-KRWDZBQOSA-N 1 0 318.461 2.561 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)Sc1ccc(OC)cc1 ZINC000160413520 425981812 /nfs/dbraw/zinc/98/18/12/425981812.db2.gz DRIMMPMXHMEINX-GFCCVEGCSA-N 1 0 310.463 2.810 20 70 DFIDRO COC(=O)c1ccc([C@H](C)[NH+]2CCC(c3cnn(C)c3)CC2)o1 ZINC000160455535 425982582 /nfs/dbraw/zinc/98/25/82/425982582.db2.gz LVHNULVFUGBPJQ-LBPRGKRZSA-N 1 0 317.389 2.740 20 70 DFIDRO FC(F)(F)c1ccnc(N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000160453875 425982642 /nfs/dbraw/zinc/98/26/42/425982642.db2.gz QQJWGCDEVQESMS-LBPRGKRZSA-N 1 0 314.355 2.950 20 70 DFIDRO Cc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)ccc1-n1cncn1 ZINC000160429857 425982659 /nfs/dbraw/zinc/98/26/59/425982659.db2.gz PDZKYSKIBPEGSJ-OAHLLOKOSA-N 1 0 300.406 2.623 20 70 DFIDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H]1CCCCO1 ZINC000160448530 425983136 /nfs/dbraw/zinc/98/31/36/425983136.db2.gz UOGONFMXCYLKJK-NJAFHUGGSA-N 1 0 314.429 2.698 20 70 DFIDRO C[C@@H](CCC(=O)NCCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000160434269 425983202 /nfs/dbraw/zinc/98/32/02/425983202.db2.gz YUABCNHWMRMMKF-INIZCTEOSA-N 1 0 318.461 2.533 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000160436603 425983208 /nfs/dbraw/zinc/98/32/08/425983208.db2.gz XPKARMZLBXSBOX-UHFFFAOYSA-N 1 0 301.390 2.897 20 70 DFIDRO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161032864 426005694 /nfs/dbraw/zinc/00/56/94/426005694.db2.gz ILDDSMFERLOEFE-HBUWYVDXSA-N 1 0 320.408 2.780 20 70 DFIDRO CC(C)c1nccc(N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000160474306 425984005 /nfs/dbraw/zinc/98/40/05/425984005.db2.gz LFOOWBDYXPTWMV-XHSDSOJGSA-N 1 0 318.465 2.678 20 70 DFIDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160470951 425984164 /nfs/dbraw/zinc/98/41/64/425984164.db2.gz AXDFTXJIGGPJTJ-DVOMOZLQSA-N 1 0 314.433 2.692 20 70 DFIDRO CCOC(=O)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000160523505 425985555 /nfs/dbraw/zinc/98/55/55/425985555.db2.gz CGAIITWBIXWANS-PBHICJAKSA-N 1 0 320.433 2.527 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cnc3ccsc3c1)CC2 ZINC000160507909 425985735 /nfs/dbraw/zinc/98/57/35/425985735.db2.gz ZLTPDOWZBRPDQL-MFKMUULPSA-N 1 0 313.430 2.862 20 70 DFIDRO O=C(Nc1nc2ccccc2n1C1CCCC1)[C@]1(F)CC[NH2+]C1 ZINC000160532215 425986504 /nfs/dbraw/zinc/98/65/04/425986504.db2.gz AJOKGSWLJLWUBO-KRWDZBQOSA-N 1 0 316.380 2.792 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000160547942 425986775 /nfs/dbraw/zinc/98/67/75/425986775.db2.gz CDUHKRVMKZYIPR-UHFFFAOYSA-N 1 0 317.458 2.986 20 70 DFIDRO CCCCCNC(=O)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160556243 425987380 /nfs/dbraw/zinc/98/73/80/425987380.db2.gz RKIJZUKWYTTXHP-UHFFFAOYSA-N 1 0 323.525 2.881 20 70 DFIDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)NCC(F)(F)F ZINC000160556527 425987389 /nfs/dbraw/zinc/98/73/89/425987389.db2.gz JCWMOYHGLNGYJG-CHWSQXEVSA-N 1 0 300.324 2.591 20 70 DFIDRO CC[NH+](CC)[C@H](C(=O)N[C@H](CCO)C(C)C)c1ccccc1 ZINC000160560452 425987523 /nfs/dbraw/zinc/98/75/23/425987523.db2.gz WKEHQSULNOSIJS-SJORKVTESA-N 1 0 306.450 2.593 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1oc(-c2ccccc2)nc1C ZINC000160560115 425987649 /nfs/dbraw/zinc/98/76/49/425987649.db2.gz QUYGINGTRQZPCB-UHFFFAOYSA-N 1 0 301.390 2.897 20 70 DFIDRO C[C@H](C(=O)N(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000160563299 425987748 /nfs/dbraw/zinc/98/77/48/425987748.db2.gz DQOPGDPWWNUUHY-RDDKANTKSA-N 1 0 316.445 2.594 20 70 DFIDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160599840 425988440 /nfs/dbraw/zinc/98/84/40/425988440.db2.gz DCVDWDPJUZOTEB-MLGOLLRUSA-N 1 0 308.353 2.861 20 70 DFIDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)O)nnn1-c1ccc(Cl)cc1 ZINC000160625585 425990051 /nfs/dbraw/zinc/99/00/51/425990051.db2.gz KVMSRKVCGMWVNO-SNVBAGLBSA-N 1 0 308.813 2.651 20 70 DFIDRO CO[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)[C@H](C[NH3+])C1 ZINC000161023180 426005877 /nfs/dbraw/zinc/00/58/77/426005877.db2.gz KGRSQPOWNMQHPZ-UONOGXRCSA-N 1 0 303.233 2.932 20 70 DFIDRO Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000160772105 425995297 /nfs/dbraw/zinc/99/52/97/425995297.db2.gz CGLRNHUXXMAJIP-KCXAZCMYSA-N 1 0 319.449 2.728 20 70 DFIDRO Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC[NH2+]CC1 ZINC000160821333 425998109 /nfs/dbraw/zinc/99/81/09/425998109.db2.gz GSUPBKYFMMECSV-UHFFFAOYSA-N 1 0 301.415 2.554 20 70 DFIDRO CSCC[C@@H](C)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160855353 425999060 /nfs/dbraw/zinc/99/90/60/425999060.db2.gz XAQNCWKDGWRGHV-ZIAGYGMSSA-N 1 0 313.511 2.786 20 70 DFIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C1CCC(CO)CC1 ZINC000160891786 425999938 /nfs/dbraw/zinc/99/99/38/425999938.db2.gz MLCZWDHPFWUGER-UHFFFAOYSA-N 1 0 324.509 2.754 20 70 DFIDRO C[C@@H](C[NH2+][C@@H]1CCCc2c1cnn2C)N(C)Cc1ccccc1 ZINC000160893727 426000664 /nfs/dbraw/zinc/00/06/64/426000664.db2.gz AYCPYLROKHEHHB-MAUKXSAKSA-N 1 0 312.461 2.908 20 70 DFIDRO Cc1c(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cnn1C ZINC000161037126 426006237 /nfs/dbraw/zinc/00/62/37/426006237.db2.gz PSGDECNUTYAPAW-CYBMUJFWSA-N 1 0 312.417 2.706 20 70 DFIDRO [NH3+]C1(CNC(=O)[C@H]2COc3ccc(Cl)cc3C2)CCCCC1 ZINC000159462474 425960930 /nfs/dbraw/zinc/96/09/30/425960930.db2.gz QLYNOQJGETUTAF-CYBMUJFWSA-N 1 0 322.836 2.669 20 70 DFIDRO Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](c4cc[nH]n4)C3)C2=O)cc1 ZINC000159433229 425960969 /nfs/dbraw/zinc/96/09/69/425960969.db2.gz MPXBPYPQXVKZOX-MAUKXSAKSA-N 1 0 324.428 2.703 20 70 DFIDRO CC[C@@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccc(F)cc1 ZINC000159549214 425962863 /nfs/dbraw/zinc/96/28/63/425962863.db2.gz IRPUXALARKCBDP-OAHLLOKOSA-N 1 0 318.396 2.716 20 70 DFIDRO C[NH+]=C(NCc1ncccc1C)N1CCC(OC(C)(C)C)CC1 ZINC000159570983 425962924 /nfs/dbraw/zinc/96/29/24/425962924.db2.gz JUHUZVNWVMVCLH-UHFFFAOYSA-N 1 0 318.465 2.745 20 70 DFIDRO C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccccc1-n1cccn1 ZINC000159591304 425963396 /nfs/dbraw/zinc/96/33/96/425963396.db2.gz KAGPSHLNRJIZIK-CQSZACIVSA-N 1 0 320.396 2.822 20 70 DFIDRO C[C@@H]1CCO[C@@H]1C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000159580549 425963450 /nfs/dbraw/zinc/96/34/50/425963450.db2.gz RMAQSBJTSUOHCA-NRLXWARBSA-N 1 0 322.493 2.913 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000159635716 425964520 /nfs/dbraw/zinc/96/45/20/425964520.db2.gz XLLRPHJFBSPMJU-HNNXBMFYSA-N 1 0 321.469 2.783 20 70 DFIDRO CC[C@H]1C[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000159616977 425964596 /nfs/dbraw/zinc/96/45/96/425964596.db2.gz XBQHPMVVKSKWGH-HOCLYGCPSA-N 1 0 310.482 2.770 20 70 DFIDRO O=C(NC[C@@H]1CCc2ccccc21)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000159730262 425967004 /nfs/dbraw/zinc/96/70/04/425967004.db2.gz GHKZIKBRCJNLJQ-PKOBYXMFSA-N 1 0 306.409 2.547 20 70 DFIDRO COc1ccc2ccccc2c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159732562 425967170 /nfs/dbraw/zinc/96/71/70/425967170.db2.gz YJRXTHGOAIIARU-UHFFFAOYSA-N 1 0 312.413 2.936 20 70 DFIDRO CC(C)(C)[NH2+]CCNC(=O)c1cccc(OC(F)(F)F)c1 ZINC000159806333 425967426 /nfs/dbraw/zinc/96/74/26/425967426.db2.gz TZATZUOGYUOGGW-UHFFFAOYSA-N 1 0 304.312 2.703 20 70 DFIDRO NC(=O)CC1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000159815146 425968129 /nfs/dbraw/zinc/96/81/29/425968129.db2.gz DVFFCAIKQBWBPO-UHFFFAOYSA-N 1 0 302.418 2.563 20 70 DFIDRO CC(C)c1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000159785388 425968169 /nfs/dbraw/zinc/96/81/69/425968169.db2.gz VLWPMVUQPJDRNJ-UHFFFAOYSA-N 1 0 319.405 2.806 20 70 DFIDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000159815270 425968313 /nfs/dbraw/zinc/96/83/13/425968313.db2.gz YCZZNFLWZWRVDW-HZMBPMFUSA-N 1 0 311.223 2.721 20 70 DFIDRO CCC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2ccccc2F)CC1 ZINC000159929725 425970183 /nfs/dbraw/zinc/97/01/83/425970183.db2.gz PXYPHJQYIZGCAQ-HNNXBMFYSA-N 1 0 306.425 2.949 20 70 DFIDRO CC(C)([NH3+])CNC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000160122643 425975167 /nfs/dbraw/zinc/97/51/67/425975167.db2.gz FANQOHIWANOIPI-UHFFFAOYSA-N 1 0 323.245 2.871 20 70 DFIDRO O=C(CC1CCCCC1)N1CCN(CCOCC2CC2)CC1 ZINC000160138766 425975875 /nfs/dbraw/zinc/97/58/75/425975875.db2.gz VGDORHLYUIRXMZ-UHFFFAOYSA-N 1 0 308.466 2.528 20 70 DFIDRO C#CCCCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000160310838 425977439 /nfs/dbraw/zinc/97/74/39/425977439.db2.gz BKBFNLLMQKACSQ-SFHVURJKSA-N 1 0 313.445 2.926 20 70 DFIDRO Cc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@@H]3C[NH3+])c2c1 ZINC000160355137 425980178 /nfs/dbraw/zinc/98/01/78/425980178.db2.gz QPLQDKWIPYAMHV-CQSZACIVSA-N 1 0 309.413 2.984 20 70 DFIDRO Fc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1F ZINC000161409303 426023019 /nfs/dbraw/zinc/02/30/19/426023019.db2.gz DVBBIAWMAHTOLI-ZDUSSCGKSA-N 1 0 318.371 2.882 20 70 DFIDRO CCn1cnnc1[C@@H]1CCC[N@H+](CCOc2ccccc2C)C1 ZINC000161424740 426023109 /nfs/dbraw/zinc/02/31/09/426023109.db2.gz PFQMIAUDATYPHI-MRXNPFEDSA-N 1 0 314.433 2.865 20 70 DFIDRO Cc1ccc(-c2[nH]nc(NC(=O)CN3CCC(C)CC3)c2C)o1 ZINC000161410962 426023259 /nfs/dbraw/zinc/02/32/59/426023259.db2.gz VZOWOYYKUIJNDZ-UHFFFAOYSA-N 1 0 316.405 2.957 20 70 DFIDRO COCc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000161479219 426025748 /nfs/dbraw/zinc/02/57/48/426025748.db2.gz NNJGMGJGCHPCBN-YOEHRIQHSA-N 1 0 317.433 2.781 20 70 DFIDRO CN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161494838 426026248 /nfs/dbraw/zinc/02/62/48/426026248.db2.gz YXZYWJSVMSLYKC-PJIALRRASA-N 1 0 320.383 2.810 20 70 DFIDRO [NH3+]CC1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161490191 426026649 /nfs/dbraw/zinc/02/66/49/426026649.db2.gz RDVVGYGWCDALNH-UHFFFAOYSA-N 1 0 301.203 2.759 20 70 DFIDRO C[C@H]1CN(Cc2ccc(Br)c(F)c2)CC[C@@H]1[NH3+] ZINC000161507848 426027176 /nfs/dbraw/zinc/02/71/76/426027176.db2.gz FLBQLJKKHBSDGL-ZANVPECISA-N 1 0 301.203 2.757 20 70 DFIDRO Cc1c(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cnn1C ZINC000161037003 426006362 /nfs/dbraw/zinc/00/63/62/426006362.db2.gz PSGDECNUTYAPAW-ZDUSSCGKSA-N 1 0 312.417 2.706 20 70 DFIDRO CC[C@](C)(O)C[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000161053895 426007044 /nfs/dbraw/zinc/00/70/44/426007044.db2.gz NTCUJGYVQMWLAY-ZBFHGGJFSA-N 1 0 310.825 2.538 20 70 DFIDRO COc1ccc(COCCC[NH2+][C@H](C)c2cnccn2)cc1 ZINC000161077136 426007325 /nfs/dbraw/zinc/00/73/25/426007325.db2.gz KFVSABQPSNLVFT-CQSZACIVSA-N 1 0 301.390 2.743 20 70 DFIDRO COc1ccc(COCCC[NH2+][C@H](C)c2cnn(C)c2)cc1 ZINC000161078348 426007922 /nfs/dbraw/zinc/00/79/22/426007922.db2.gz BEWAEUYCTNLCNH-CQSZACIVSA-N 1 0 303.406 2.686 20 70 DFIDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1cnn(C)c1 ZINC000161099662 426008924 /nfs/dbraw/zinc/00/89/24/426008924.db2.gz IMAQBFNXQJRQKH-CQSZACIVSA-N 1 0 306.797 2.753 20 70 DFIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](COC)C(C)C)c1 ZINC000161114158 426009011 /nfs/dbraw/zinc/00/90/11/426009011.db2.gz YBXZDCPEKMQBLT-RHSMWYFYSA-N 1 0 306.450 2.976 20 70 DFIDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000161102617 426009041 /nfs/dbraw/zinc/00/90/41/426009041.db2.gz RTNVQUFZRRBAON-KSZLIROESA-N 1 0 316.445 2.579 20 70 DFIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](COC)C(C)C)c1 ZINC000161114059 426009086 /nfs/dbraw/zinc/00/90/86/426009086.db2.gz YBXZDCPEKMQBLT-YOEHRIQHSA-N 1 0 306.450 2.976 20 70 DFIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@@H](C)C1 ZINC000161095580 426009208 /nfs/dbraw/zinc/00/92/08/426009208.db2.gz SEPIALXPGADMIB-ZBEGNZNMSA-N 1 0 303.381 2.766 20 70 DFIDRO CCOc1cc(C[NH2+]C(C)(C)[C@H](C)O)ccc1OC(F)F ZINC000161141674 426010041 /nfs/dbraw/zinc/01/00/41/426010041.db2.gz KJQKIMLZYBSMRI-JTQLQIEISA-N 1 0 303.349 2.936 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000161149280 426010524 /nfs/dbraw/zinc/01/05/24/426010524.db2.gz MVZUCRYLUCCAQB-CABCVRRESA-N 1 0 322.399 2.916 20 70 DFIDRO Cc1cccc2c(CCC(=O)NC[C@H](C3CC3)[NH+](C)C)c[nH]c21 ZINC000161156590 426011778 /nfs/dbraw/zinc/01/17/78/426011778.db2.gz VGXNLSYXZLNYFC-QGZVFWFLSA-N 1 0 313.445 2.865 20 70 DFIDRO Cc1cccc(C)c1NCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161204027 426012943 /nfs/dbraw/zinc/01/29/43/426012943.db2.gz HTKBIYLCBVDXQE-HOTGVXAUSA-N 1 0 303.450 2.560 20 70 DFIDRO CC[C@@H](NC(=O)[C@@H]([NH3+])CCSC)c1ccc(F)cc1F ZINC000161210718 426014012 /nfs/dbraw/zinc/01/40/12/426014012.db2.gz NPEXBQLIPSLNMM-QWHCGFSZSA-N 1 0 302.390 2.613 20 70 DFIDRO COCC(C)(C)C(=O)NC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000161257032 426014876 /nfs/dbraw/zinc/01/48/76/426014876.db2.gz BHKGRGPBXCYGDG-RDJZCZTQSA-N 1 0 318.461 2.686 20 70 DFIDRO CCOC(=O)CCc1ccc(NC(=O)C(CC)(CC)C[NH3+])cc1 ZINC000161240475 426015452 /nfs/dbraw/zinc/01/54/52/426015452.db2.gz FARCACGYAQLOBV-UHFFFAOYSA-N 1 0 320.433 2.886 20 70 DFIDRO CCOC(=O)[C@H]1CCCCN1Cc1ccc(OCCOC)cc1 ZINC000161276965 426016384 /nfs/dbraw/zinc/01/63/84/426016384.db2.gz IOOSHXKGWNZGQJ-QGZVFWFLSA-N 1 0 321.417 2.629 20 70 DFIDRO C=C(C)CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000161260513 426016562 /nfs/dbraw/zinc/01/65/62/426016562.db2.gz ULQKYVDEODFGGS-KRWDZBQOSA-N 1 0 317.433 2.707 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000161296874 426016956 /nfs/dbraw/zinc/01/69/56/426016956.db2.gz DAZINKLGYFFZFY-OAHLLOKOSA-N 1 0 303.450 2.537 20 70 DFIDRO CC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c3c2cccc3C)C1 ZINC000161322877 426018112 /nfs/dbraw/zinc/01/81/12/426018112.db2.gz CLHSSFUFRJNNPT-HNNXBMFYSA-N 1 0 313.445 2.867 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ncc(C(N)=O)cc2Cl)C1 ZINC000161303714 426018418 /nfs/dbraw/zinc/01/84/18/426018418.db2.gz ALSJGJJBPAZXEY-GFCCVEGCSA-N 1 0 324.856 2.614 20 70 DFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000161349944 426020543 /nfs/dbraw/zinc/02/05/43/426020543.db2.gz JYPRGNVNKOCMDT-PBHICJAKSA-N 1 0 322.412 2.527 20 70 DFIDRO CC(=O)NC1CCC([NH2+]CCOc2cc(C)cc(C)c2)CC1 ZINC000161350773 426021503 /nfs/dbraw/zinc/02/15/03/426021503.db2.gz GVSWWUUALULPLR-UHFFFAOYSA-N 1 0 304.434 2.719 20 70 DFIDRO CC(=O)NC1CCC([NH2+]CCCOc2ccc(C)cc2)CC1 ZINC000161392604 426022047 /nfs/dbraw/zinc/02/20/47/426022047.db2.gz HSKAQAOSCUTDRK-UHFFFAOYSA-N 1 0 304.434 2.801 20 70 DFIDRO C(CN1CCC(OC2CCOCC2)CC1)C[NH+]1CCCCC1 ZINC000161375325 426022197 /nfs/dbraw/zinc/02/21/97/426022197.db2.gz UMNZAJCATMGYEB-UHFFFAOYSA-N 1 0 310.482 2.522 20 70 DFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000217863029 426566511 /nfs/dbraw/zinc/56/65/11/426566511.db2.gz BIBWPSWJRQRZKM-JTQLQIEISA-N 1 0 313.785 2.708 20 70 DFIDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(Br)cc1F ZINC000217853876 426565014 /nfs/dbraw/zinc/56/50/14/426565014.db2.gz JOIGIHRTJKCXBP-GFCCVEGCSA-N 1 0 322.243 2.792 20 70 DFIDRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)[C@H](O)c1ccc(F)cc1 ZINC000161496146 274509939 /nfs/dbraw/zinc/50/99/39/274509939.db2.gz CVSWEDOBVAKBHH-LRDDRELGSA-N 1 0 309.381 2.523 20 70 DFIDRO Cc1ccc([C@@H]2CN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CCO2)c(C)c1 ZINC000160413984 274758470 /nfs/dbraw/zinc/75/84/70/274758470.db2.gz LXRVYWQMTHXSOL-RYRKJORJSA-N 1 0 316.445 2.721 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](Cc1ccc(C)cc1)C1CC1)CC2 ZINC000160584533 274854288 /nfs/dbraw/zinc/85/42/88/274854288.db2.gz MXSPWGDHCKSLLK-QZTJIDSGSA-N 1 0 310.445 2.821 20 70 DFIDRO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCOCC1 ZINC000160914522 278143172 /nfs/dbraw/zinc/14/31/72/278143172.db2.gz RAKHPNSOCHQGPD-YXJHDRRASA-N 1 0 320.477 2.524 20 70 DFIDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)c1cccnc1 ZINC000159965969 278279681 /nfs/dbraw/zinc/27/96/81/278279681.db2.gz XEMMBVGLRNKHJF-ULFGMLNVSA-N 1 0 313.376 2.843 20 70 DFIDRO CC[C@H]([NH2+]C[C@@H](C)N1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000159827765 288043524 /nfs/dbraw/zinc/04/35/24/288043524.db2.gz LKTJKOAEOJLARB-MNEFBYGVSA-N 1 0 302.462 2.838 20 70 DFIDRO C[C@H](C[NH2+][C@H]1CCCc2c1cnn2C)N1CCc2ccccc2C1 ZINC000159837396 279352935 /nfs/dbraw/zinc/35/29/35/279352935.db2.gz CJWCPCPQENKLDE-BEFAXECRSA-N 1 0 324.472 2.834 20 70 DFIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccccc1OC ZINC000160533290 280195021 /nfs/dbraw/zinc/19/50/21/280195021.db2.gz PUICGIPBTFFQKT-UKRRQHHQSA-N 1 0 300.406 2.651 20 70 DFIDRO CCN(CC[NH2+][C@@H](C)C1CCOCC1)C(=O)OC(C)(C)C ZINC000159506273 295377839 /nfs/dbraw/zinc/37/78/39/295377839.db2.gz DKLVHODUVYJJRC-ZDUSSCGKSA-N 1 0 300.443 2.648 20 70 DFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000159610441 295379022 /nfs/dbraw/zinc/37/90/22/295379022.db2.gz DNCHNHNPWFIMKM-KBXCAEBGSA-N 1 0 309.413 2.834 20 70 DFIDRO CC(C)COc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000159647072 295379332 /nfs/dbraw/zinc/37/93/32/295379332.db2.gz OLIRNXXBXZNAGB-WMLDXEAASA-N 1 0 304.434 2.993 20 70 DFIDRO CC(C)OCCCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000159715392 295380769 /nfs/dbraw/zinc/38/07/69/295380769.db2.gz VEJCCEHGZKSZRW-UHFFFAOYSA-N 1 0 313.486 2.565 20 70 DFIDRO CCC[N@H+](CC)CCNC(=O)NCc1cc(C)cc(OC)c1 ZINC000159958405 295384513 /nfs/dbraw/zinc/38/45/13/295384513.db2.gz LBZIKZFIEFHIQQ-UHFFFAOYSA-N 1 0 307.438 2.535 20 70 DFIDRO CS[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000160026558 295385721 /nfs/dbraw/zinc/38/57/21/295385721.db2.gz NLINLPUDLZBIDE-AWEZNQCLSA-N 1 0 319.474 2.590 20 70 DFIDRO COC(C)(C)C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000160070821 295386179 /nfs/dbraw/zinc/38/61/79/295386179.db2.gz SCVNJHMYTUFWJM-STQMWFEESA-N 1 0 300.443 2.837 20 70 DFIDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COCc2ccco2)n1 ZINC000160107653 295386549 /nfs/dbraw/zinc/38/65/49/295386549.db2.gz HPROUQYPQHABQY-YJBOKZPZSA-N 1 0 316.401 2.698 20 70 DFIDRO C[N@@H+]1CC[C@H](CNC(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000160106168 295386617 /nfs/dbraw/zinc/38/66/17/295386617.db2.gz PZAZRVALBABJKE-GFCCVEGCSA-N 1 0 302.349 2.767 20 70 DFIDRO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)CO2 ZINC000160132497 295386901 /nfs/dbraw/zinc/38/69/01/295386901.db2.gz KPPJUYGTLLASNV-HLPPOEQASA-N 1 0 302.418 2.806 20 70 DFIDRO C[C@H]1C[C@H](NC(=O)N(C)CC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000160195694 295387716 /nfs/dbraw/zinc/38/77/16/295387716.db2.gz BMBNRNHSHYFOJC-JSGCOSHPSA-N 1 0 311.376 2.556 20 70 DFIDRO CCC(CC)n1ncc(C(=O)N2CC[NH+](CC3CC3)CC2)c1C ZINC000160426364 295391306 /nfs/dbraw/zinc/39/13/06/295391306.db2.gz WJFBNXFWFVLVLK-UHFFFAOYSA-N 1 0 318.465 2.720 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccccc1 ZINC000160511634 295392053 /nfs/dbraw/zinc/39/20/53/295392053.db2.gz WGUOIOQDBRGBRG-HZPDHXFCSA-N 1 0 304.434 2.691 20 70 DFIDRO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)O ZINC000160594046 295393354 /nfs/dbraw/zinc/39/33/54/295393354.db2.gz GMVVGQJENJTESG-JTQLQIEISA-N 1 0 318.339 2.783 20 70 DFIDRO CC[NH+](CC)CCNC(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000160635549 295393971 /nfs/dbraw/zinc/39/39/71/295393971.db2.gz OHCZKDQJEBZPSK-QGZVFWFLSA-N 1 0 318.465 2.614 20 70 DFIDRO CC[C@](C)(O)C[NH+]1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000160916527 295396487 /nfs/dbraw/zinc/39/64/87/295396487.db2.gz IVKFJBGAMACXQK-KRWDZBQOSA-N 1 0 314.470 2.726 20 70 DFIDRO CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)[C@H](C)[NH3+])cc1 ZINC000161031584 295397689 /nfs/dbraw/zinc/39/76/89/295397689.db2.gz DUJLAOPPDOXSLH-XKQJLSEDSA-N 1 0 320.433 2.629 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000161300939 295401490 /nfs/dbraw/zinc/40/14/90/295401490.db2.gz IKNQCHGEXUYDEG-OAHLLOKOSA-N 1 0 319.453 2.631 20 70 DFIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000161418573 295402514 /nfs/dbraw/zinc/40/25/14/295402514.db2.gz BHDCLXHUNXEYKV-NVXWUHKLSA-N 1 0 304.434 2.870 20 70 DFIDRO C=CCOc1ccccc1C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000161137829 334884205 /nfs/dbraw/zinc/88/42/05/334884205.db2.gz GFHJHJKLVLURDE-UHFFFAOYSA-N 1 0 302.418 2.713 20 70 DFIDRO CCC[N@@H+]1CCCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1 ZINC000160404851 519848727 /nfs/dbraw/zinc/84/87/27/519848727.db2.gz HBWNZZYVCZWRJW-UHFFFAOYSA-N 1 0 320.408 2.733 20 70 DFIDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000160389601 521652001 /nfs/dbraw/zinc/65/20/01/521652001.db2.gz GIHKFEBJRQBXEZ-HNNXBMFYSA-N 1 0 321.469 2.877 20 70 DFIDRO CCOCCC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000159672322 521705697 /nfs/dbraw/zinc/70/56/97/521705697.db2.gz SNHXMNPHFHCBEY-UHFFFAOYSA-N 1 0 303.406 2.560 20 70 DFIDRO C[NH2+]C[C@H]1CCCN(c2ncc(Cl)cc2Br)C1 ZINC000159656739 522085097 /nfs/dbraw/zinc/08/50/97/522085097.db2.gz COVCMUHOQJDQLR-SECBINFHSA-N 1 0 318.646 2.933 20 70 DFIDRO COc1cc(O)c(C[N@@H+]2CCS[C@@H](C(C)C)C2)cc1OC ZINC000160319068 522779486 /nfs/dbraw/zinc/77/94/86/522779486.db2.gz WMRADIYALDLVQJ-MRXNPFEDSA-N 1 0 311.447 2.983 20 70 DFIDRO CN(C(=O)c1ccc(F)c(C(F)(F)F)c1)[C@@H](C[NH3+])C1CC1 ZINC000159898611 523933859 /nfs/dbraw/zinc/93/38/59/523933859.db2.gz ACBZTIGVCFMXCV-LBPRGKRZSA-N 1 0 304.287 2.654 20 70 DFIDRO COc1ccc(Cl)cc1/C=C/C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160309640 524192672 /nfs/dbraw/zinc/19/26/72/524192672.db2.gz KSRKUSHSZKLPTO-CZXPBSPDSA-N 1 0 320.820 2.715 20 70 DFIDRO CSCCN(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160411061 525489699 /nfs/dbraw/zinc/48/96/99/525489699.db2.gz LETPQNJPWVUDDY-GDBMZVCRSA-N 1 0 321.490 2.654 20 70 DFIDRO COc1cccc(CCC[NH+]2CCC(n3cncn3)CC2)c1 ZINC000159908136 525883925 /nfs/dbraw/zinc/88/39/25/525883925.db2.gz UROSUALBESMLAM-UHFFFAOYSA-N 1 0 300.406 2.556 20 70 DFIDRO COC(C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1)OC ZINC000160798106 536502295 /nfs/dbraw/zinc/50/22/95/536502295.db2.gz OBCIAVUBDLTBJJ-UHFFFAOYSA-N 1 0 321.396 2.699 20 70 DFIDRO COC1(C(=O)Nc2cc(C3CCCCCC3)[nH]n2)CC[NH2+]CC1 ZINC000159479665 536542135 /nfs/dbraw/zinc/54/21/35/536542135.db2.gz SERJBRVPYOEAKR-UHFFFAOYSA-N 1 0 320.437 2.555 20 70 DFIDRO CCOCCC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000159568364 535516008 /nfs/dbraw/zinc/51/60/08/535516008.db2.gz APSRPYQEFCBFOU-UHFFFAOYSA-N 1 0 305.422 2.699 20 70 DFIDRO CCN(CC)c1ncc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000218119487 535692619 /nfs/dbraw/zinc/69/26/19/535692619.db2.gz PBRYTVYDABZFKM-GJZGRUSLSA-N 1 0 308.495 2.706 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000160472067 282118235 /nfs/dbraw/zinc/11/82/35/282118235.db2.gz IILVGCKPJMKGFY-GOEBONIOSA-N 1 0 324.428 2.937 20 70 DFIDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000160368566 282134986 /nfs/dbraw/zinc/13/49/86/282134986.db2.gz ZRYCZGVJQCVNBF-SNVBAGLBSA-N 1 0 318.314 2.868 20 70 DFIDRO c1cn(-c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)cn1 ZINC000159537887 186125891 /nfs/dbraw/zinc/12/58/91/186125891.db2.gz AJAWYBQMQLAQAH-KSZLIROESA-N 1 0 309.413 2.920 20 70 DFIDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159539431 186126007 /nfs/dbraw/zinc/12/60/07/186126007.db2.gz HKUGBZULVIRNOW-HUUCEWRRSA-N 1 0 304.434 2.789 20 70 DFIDRO Cc1ccc2cc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)ccc2n1 ZINC000159549637 186126602 /nfs/dbraw/zinc/12/66/02/186126602.db2.gz KXFZFVGSXMWANG-AWEZNQCLSA-N 1 0 309.413 2.757 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCCSc2ccccc2)CC1 ZINC000159551517 186126751 /nfs/dbraw/zinc/12/67/51/186126751.db2.gz WKGLJUIOFFLQPV-UHFFFAOYSA-N 1 0 307.463 2.516 20 70 DFIDRO [NH3+]C[C@@H]1CCCN1C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000160258358 283470709 /nfs/dbraw/zinc/47/07/09/283470709.db2.gz WWSDCAXZFCORFV-STQMWFEESA-N 1 0 300.324 2.672 20 70 DFIDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1OC ZINC000159673621 398966064 /nfs/dbraw/zinc/96/60/64/398966064.db2.gz XUDCJNFFSVIVHY-ZFWWWQNUSA-N 1 0 318.417 2.907 20 70 DFIDRO C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)C1CCOCC1 ZINC000160790857 299349056 /nfs/dbraw/zinc/34/90/56/299349056.db2.gz DEMIYKBOYSLAOD-YJBOKZPZSA-N 1 0 316.445 2.755 20 70 DFIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C(C)(C)c1ccccc1 ZINC000160527259 296116015 /nfs/dbraw/zinc/11/60/15/296116015.db2.gz RHDOMKXXAOVCSS-LLVKDONJSA-N 1 0 302.340 2.621 20 70 DFIDRO Cc1cc(C)cc(OCC[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161350924 197487367 /nfs/dbraw/zinc/48/73/67/197487367.db2.gz YRWRDHICOJEBGA-UHFFFAOYSA-N 1 0 305.418 2.958 20 70 DFIDRO CCn1c2ccccc2nc1[C@H](C)NC(=O)C(CC)(CC)C[NH3+] ZINC000161277091 197481189 /nfs/dbraw/zinc/48/11/89/197481189.db2.gz OGAIEBLWICYFMX-ZDUSSCGKSA-N 1 0 316.449 2.999 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000161244540 197478104 /nfs/dbraw/zinc/47/81/04/197478104.db2.gz SAGMTZSGRXDWQK-GFCCVEGCSA-N 1 0 312.841 2.989 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)c2csc(CC(C)C)n2)CC1 ZINC000161105021 197466170 /nfs/dbraw/zinc/46/61/70/197466170.db2.gz YNACQSFJRPVIOI-UHFFFAOYSA-N 1 0 309.479 2.803 20 70 DFIDRO O=C([C@@H]1CCC[NH2+]1)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000160881724 197446607 /nfs/dbraw/zinc/44/66/07/197446607.db2.gz PLZMNQWQSAPGLX-INIZCTEOSA-N 1 0 306.837 2.873 20 70 DFIDRO CCCc1cc(N2CCS(=O)(=O)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000160718703 197433573 /nfs/dbraw/zinc/43/35/73/197433573.db2.gz AODIKBPSWKVZSR-CYBMUJFWSA-N 1 0 318.442 2.811 20 70 DFIDRO CC(C)Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160279319 197397575 /nfs/dbraw/zinc/39/75/75/197397575.db2.gz LVCDRVKYAORPDI-QGZVFWFLSA-N 1 0 316.445 2.798 20 70 DFIDRO Cc1ccc(C(=O)CC[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000160309595 197398842 /nfs/dbraw/zinc/39/88/42/197398842.db2.gz WKVORLPDFDOPBW-RDJZCZTQSA-N 1 0 305.443 2.774 20 70 DFIDRO CCCCCCOc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1OC ZINC000160221387 197394005 /nfs/dbraw/zinc/39/40/05/197394005.db2.gz PFXPZDAPLZOQKW-OAHLLOKOSA-N 1 0 320.433 2.828 20 70 DFIDRO COc1cccc(Cl)c1CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000160137787 197388758 /nfs/dbraw/zinc/38/87/58/197388758.db2.gz GAJJDOIWXZLWNW-WFASDCNBSA-N 1 0 324.852 2.690 20 70 DFIDRO CC[C@H](CC(=O)NC[C@H]1CC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000160108573 197386550 /nfs/dbraw/zinc/38/65/50/197386550.db2.gz RYYILIZDGQRPHN-HUUCEWRRSA-N 1 0 304.434 2.647 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000159940539 197375396 /nfs/dbraw/zinc/37/53/96/197375396.db2.gz BBACEMUNJBRHEN-CVEARBPZSA-N 1 0 303.450 2.916 20 70 DFIDRO C[C@@](O)(C[NH2+]C1CCN(CC(F)(F)F)CC1)c1ccsc1 ZINC000159909263 197373038 /nfs/dbraw/zinc/37/30/38/197373038.db2.gz DOPKFCBOBHRTSJ-CYBMUJFWSA-N 1 0 322.396 2.572 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)c2ccc(C)cc2)CC1 ZINC000159888389 197370900 /nfs/dbraw/zinc/37/09/00/197370900.db2.gz FPLNKZFFGZSKNF-MRXNPFEDSA-N 1 0 303.450 2.836 20 70 DFIDRO CC[C@H](COC)NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000159866496 197370426 /nfs/dbraw/zinc/37/04/26/197370426.db2.gz SVYUTRLBHDOKJT-GOEBONIOSA-N 1 0 321.465 2.840 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCc2oc3ccccc3c2C)CC1 ZINC000159865838 197370176 /nfs/dbraw/zinc/37/01/76/197370176.db2.gz DBKBKQXMKSZFKF-UHFFFAOYSA-N 1 0 315.417 2.978 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](c2ncccc2C)C(C)C)CC1 ZINC000159866721 197370021 /nfs/dbraw/zinc/37/00/21/197370021.db2.gz AOOFSSURGSLZMO-INIZCTEOSA-N 1 0 318.465 2.824 20 70 DFIDRO C=CCOc1ccccc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159873291 197369858 /nfs/dbraw/zinc/36/98/58/197369858.db2.gz PEIMTUMCRREULV-UHFFFAOYSA-N 1 0 314.429 2.856 20 70 DFIDRO CCCn1ccc2ccc(NC(=O)C[NH2+]C[C@H]3CCCO3)cc21 ZINC000159852041 197368824 /nfs/dbraw/zinc/36/88/24/197368824.db2.gz LDXWUPOBYRFHHX-MRXNPFEDSA-N 1 0 315.417 2.758 20 70 DFIDRO C[C@H](CNC(=O)c1ccc(N(C)C)cc1F)C[NH+]1CCCCC1 ZINC000159779835 197363888 /nfs/dbraw/zinc/36/38/88/197363888.db2.gz SKMGYZHWUIXDKH-CQSZACIVSA-N 1 0 321.440 2.744 20 70 DFIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cc(F)c(F)c(F)c1 ZINC000159514898 197359453 /nfs/dbraw/zinc/35/94/53/197359453.db2.gz IFGIDIVYPNNSSD-JTQLQIEISA-N 1 0 300.324 2.767 20 70 DFIDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000159455408 197355472 /nfs/dbraw/zinc/35/54/72/197355472.db2.gz MXMRQPHCBDKIHC-YVEFUNNKSA-N 1 0 324.852 2.922 20 70 DFIDRO CC[C@@H]([NH2+]CCN(CC)C(=O)OC(C)(C)C)c1cnn(C)c1 ZINC000159450071 197354348 /nfs/dbraw/zinc/35/43/48/197354348.db2.gz HSKLGWHPDXKCHV-CQSZACIVSA-N 1 0 310.442 2.718 20 70 DFIDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000159414753 197351341 /nfs/dbraw/zinc/35/13/41/197351341.db2.gz ACWBVPVPBMXJHO-LLVKDONJSA-N 1 0 320.355 2.656 20 70 DFIDRO CC1(C)C[C@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)CCO1 ZINC000160592805 542723540 /nfs/dbraw/zinc/72/35/40/542723540.db2.gz RIUACAQGPFUDLG-QGZVFWFLSA-N 1 0 324.509 2.816 20 70 DFIDRO COc1cc([C@@H](C)[NH2+]Cc2cnn(C)c2C)cc(OC)c1OC ZINC000160122374 542721173 /nfs/dbraw/zinc/72/11/73/542721173.db2.gz VHWKIRFPCMEGME-LLVKDONJSA-N 1 0 319.405 2.605 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc3ccc(Cl)cc3n2)C1 ZINC000161194498 542727595 /nfs/dbraw/zinc/72/75/95/542727595.db2.gz XJKPJXYVVXNIAT-QWHCGFSZSA-N 1 0 303.793 2.888 20 70 DFIDRO Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161217201 542728002 /nfs/dbraw/zinc/72/80/02/542728002.db2.gz NSYAFFKNCFAAEO-QWRGUYRKSA-N 1 0 305.403 2.711 20 70 DFIDRO Cc1nc2c([nH]1)C[C@H](C(=O)N[C@@H](C)c1nc3ccccc3[nH]1)CC2 ZINC000161316188 542728927 /nfs/dbraw/zinc/72/89/27/542728927.db2.gz AXAAOMRHXMRXQV-CMPLNLGQSA-N 1 0 323.400 2.577 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(Oc3ccccc3)nc2)C1 ZINC000161440752 542729276 /nfs/dbraw/zinc/72/92/76/542729276.db2.gz FTUXRIBENJEYCE-CABCVRRESA-N 1 0 311.385 2.874 20 70 DFIDRO C[N@H+](CCCCS(C)(=O)=O)Cc1cccc(C(F)(F)F)c1 ZINC000161488296 542729886 /nfs/dbraw/zinc/72/98/86/542729886.db2.gz SHJHNFUTCLVQMK-UHFFFAOYSA-N 1 0 323.380 2.962 20 70 DFIDRO CC(C)(C)n1nc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1C1CC1 ZINC000161508555 542730434 /nfs/dbraw/zinc/73/04/34/542730434.db2.gz FFVOUBONTWBWSF-CHWSQXEVSA-N 1 0 304.438 2.515 20 70 DFIDRO Cc1ccccc1[C@@H]1C[C@H]1NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000160653964 542724253 /nfs/dbraw/zinc/72/42/53/542724253.db2.gz OPIXUFHUPRULRP-FHLIZLRMSA-N 1 0 300.446 2.993 20 70 DFIDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@@H](C)c2ccncc2)C1 ZINC000160810673 542725553 /nfs/dbraw/zinc/72/55/53/542725553.db2.gz QBTZGAZKFCOOIM-HZPDHXFCSA-N 1 0 303.450 2.766 20 70 DFIDRO CS(=O)(=O)CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000161085107 542726884 /nfs/dbraw/zinc/72/68/84/542726884.db2.gz JLSYDYRWSKUZNV-UHFFFAOYSA-N 1 0 309.475 2.766 20 70 DFIDRO C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000218675710 542879029 /nfs/dbraw/zinc/87/90/29/542879029.db2.gz MCRJECRGQHMNEV-IVSAIRAKSA-N 1 0 316.445 2.993 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)Cc2cccc(OC(C)C)c2)CC1 ZINC000161023762 285583597 /nfs/dbraw/zinc/58/35/97/285583597.db2.gz WAJPZERBMWYPEO-UHFFFAOYSA-N 1 0 318.461 2.864 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)c2scnc2C(C)(C)C)CC1 ZINC000161054741 285585371 /nfs/dbraw/zinc/58/53/71/285585371.db2.gz LYMDKZZOGMGKLO-UHFFFAOYSA-N 1 0 309.479 2.902 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000159458533 286018079 /nfs/dbraw/zinc/01/80/79/286018079.db2.gz TUPJVNNRCBYVTR-WPGHFRTFSA-N 1 0 310.825 2.674 20 70 DFIDRO C[C@@H](NC(=O)C1([NH3+])CCCCC1)c1ccccc1-n1cccn1 ZINC000159593431 286935769 /nfs/dbraw/zinc/93/57/69/286935769.db2.gz CQVNSSRKAIVAOE-CQSZACIVSA-N 1 0 312.417 2.711 20 70 DFIDRO CCO/C=C(/C#N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000159396865 266177465 /nfs/dbraw/zinc/17/74/65/266177465.db2.gz NWYWLMDXDOOJAB-QXPQOBGOSA-N 1 0 315.417 2.676 20 70 DFIDRO CC(C)(C)OC(=O)NC1CCC([NH2+]CC2CCOCC2)CC1 ZINC000218108531 268139654 /nfs/dbraw/zinc/13/96/54/268139654.db2.gz SQFVUFOZRWNJOS-UHFFFAOYSA-N 1 0 312.454 2.839 20 70 DFIDRO C[C@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218178189 268139775 /nfs/dbraw/zinc/13/97/75/268139775.db2.gz UHUNFCVLXZSPMH-KBPBESRZSA-N 1 0 322.453 2.545 20 70 DFIDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c1 ZINC000218087768 268139788 /nfs/dbraw/zinc/13/97/88/268139788.db2.gz OROQHGVZNQKYLH-LBPRGKRZSA-N 1 0 321.421 2.820 20 70 DFIDRO COc1cc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000217935486 268139844 /nfs/dbraw/zinc/13/98/44/268139844.db2.gz AUWUROJCGWZUOU-CQSZACIVSA-N 1 0 321.421 2.579 20 70 DFIDRO C[C@@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218178033 268139850 /nfs/dbraw/zinc/13/98/50/268139850.db2.gz UHUNFCVLXZSPMH-ZIAGYGMSSA-N 1 0 322.453 2.545 20 70 DFIDRO CC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000218763688 268140144 /nfs/dbraw/zinc/14/01/44/268140144.db2.gz FDUDGPNLHUWAOZ-MCIONIFRSA-N 1 0 300.443 2.573 20 70 DFIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cc(F)ccc1F ZINC000160387660 425980361 /nfs/dbraw/zinc/98/03/61/425980361.db2.gz HPKNLQAZHJKKQT-WFASDCNBSA-N 1 0 306.360 2.920 20 70 DFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc(OCc2cccs2)c1 ZINC000160378308 425980586 /nfs/dbraw/zinc/98/05/86/425980586.db2.gz UYQQLXUWWOYBTA-AWEZNQCLSA-N 1 0 316.426 2.890 20 70 DFIDRO C[NH2+][C@H]1CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000160383400 425980590 /nfs/dbraw/zinc/98/05/90/425980590.db2.gz YWAIFDDWOLVBIJ-LBPRGKRZSA-N 1 0 320.234 2.791 20 70 DFIDRO [NH3+][C@@H]1CCCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000160380521 425980738 /nfs/dbraw/zinc/98/07/38/425980738.db2.gz AZRDPYLYBWXRQJ-GFCCVEGCSA-N 1 0 320.234 2.920 20 70 DFIDRO CC(C)(C)c1ccccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160461392 425982983 /nfs/dbraw/zinc/98/29/83/425982983.db2.gz VQAJHTQSFXBQKB-HNNXBMFYSA-N 1 0 318.461 2.561 20 70 DFIDRO N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160444577 425983006 /nfs/dbraw/zinc/98/30/06/425983006.db2.gz HVQYRDBVYXJXRT-INIZCTEOSA-N 1 0 314.389 2.921 20 70 DFIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)/C=C/c1cnn(C)c1C ZINC000160458032 425983097 /nfs/dbraw/zinc/98/30/97/425983097.db2.gz YBCVYVKYXYVTEO-MDZDMXLPSA-N 1 0 320.481 2.568 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCOc3ccc(C)cc31)CC2 ZINC000160446171 425983129 /nfs/dbraw/zinc/98/31/29/425983129.db2.gz XXMJMICHEXPTHT-HOCLYGCPSA-N 1 0 312.417 2.713 20 70 DFIDRO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160450731 425983400 /nfs/dbraw/zinc/98/34/00/425983400.db2.gz ILTXQLJZHRKPOE-OAHLLOKOSA-N 1 0 320.433 2.554 20 70 DFIDRO COC(=O)Cc1cccc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000160492842 425984416 /nfs/dbraw/zinc/98/44/16/425984416.db2.gz MEGCGENDVIZLLJ-MJBXVCDLSA-N 1 0 318.417 2.602 20 70 DFIDRO CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160525359 425985057 /nfs/dbraw/zinc/98/50/57/425985057.db2.gz GZINWWXSQGJBIR-MJGOQNOKSA-N 1 0 316.445 2.515 20 70 DFIDRO C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000160543734 425986422 /nfs/dbraw/zinc/98/64/22/425986422.db2.gz ZHDNQQABMKOQEG-QWRGUYRKSA-N 1 0 314.351 2.954 20 70 DFIDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(F)cc(F)cc1F ZINC000160574518 425987738 /nfs/dbraw/zinc/98/77/38/425987738.db2.gz WDDNGUGSFDNISO-SNVBAGLBSA-N 1 0 300.324 2.708 20 70 DFIDRO C[C@H]1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c2ccccc21 ZINC000160593623 425988853 /nfs/dbraw/zinc/98/88/53/425988853.db2.gz AWQKUSZTLRHCTI-GXFFZTMASA-N 1 0 300.324 2.893 20 70 DFIDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)O)nnn1-c1cccc(Cl)c1 ZINC000160585573 425989154 /nfs/dbraw/zinc/98/91/54/425989154.db2.gz OPVIGOKYWJODRK-SNVBAGLBSA-N 1 0 308.813 2.651 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000160610843 425990075 /nfs/dbraw/zinc/99/00/75/425990075.db2.gz VOQQAWNDRDYYEH-OAHLLOKOSA-N 1 0 321.469 2.925 20 70 DFIDRO CC[NH+](CC)CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000160648301 425990587 /nfs/dbraw/zinc/99/05/87/425990587.db2.gz WRIHUNRWUAPTHX-UHFFFAOYSA-N 1 0 314.414 2.962 20 70 DFIDRO COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC(=O)Nc2ccccc21 ZINC000160629614 425990961 /nfs/dbraw/zinc/99/09/61/425990961.db2.gz XXEWMXRWETVYHT-IAGOWNOFSA-N 1 0 324.424 2.960 20 70 DFIDRO O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)Nc1cccc(F)c1 ZINC000160653507 425991139 /nfs/dbraw/zinc/99/11/39/425991139.db2.gz KHUYANNGRBZNMP-UHFFFAOYSA-N 1 0 316.380 2.757 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC000160761041 425995675 /nfs/dbraw/zinc/99/56/75/425995675.db2.gz NNVZEXLFKJGVSC-BXKDBHETSA-N 1 0 317.216 2.581 20 70 DFIDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2nccn2C(C)C)C1 ZINC000160846916 425997662 /nfs/dbraw/zinc/99/76/62/425997662.db2.gz HPNYILZWWBDYNX-CVEARBPZSA-N 1 0 320.481 2.981 20 70 DFIDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2nccn2C(C)C)C1 ZINC000160846563 425998022 /nfs/dbraw/zinc/99/80/22/425998022.db2.gz HPNYILZWWBDYNX-JKSUJKDBSA-N 1 0 320.481 2.981 20 70 DFIDRO CCc1ccc(/C=C/C(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)o1 ZINC000160878051 425999331 /nfs/dbraw/zinc/99/93/31/425999331.db2.gz PLULGPWYYAXDIR-SPZIKGKASA-N 1 0 302.418 2.940 20 70 DFIDRO CC(C)NC(=O)C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000160955959 426002563 /nfs/dbraw/zinc/00/25/63/426002563.db2.gz HQZIHWFTIGEURY-NWDGAFQWSA-N 1 0 305.447 2.903 20 70 DFIDRO CC[N@@H+](Cc1c(C)n[nH]c1C)C[C@H]1COc2ccccc2O1 ZINC000160956920 426002779 /nfs/dbraw/zinc/00/27/79/426002779.db2.gz PWQYBQGWRFBRLF-AWEZNQCLSA-N 1 0 301.390 2.688 20 70 DFIDRO CC(C)NC(=O)C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000160955844 426002954 /nfs/dbraw/zinc/00/29/54/426002954.db2.gz HQZIHWFTIGEURY-RYUDHWBXSA-N 1 0 305.447 2.903 20 70 DFIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000160987574 426003946 /nfs/dbraw/zinc/00/39/46/426003946.db2.gz QOSYQBHMJXBHAL-INIZCTEOSA-N 1 0 312.417 2.572 20 70 DFIDRO COC1(C(=O)Nc2sc3c(c2C)CCCC3)CC[NH2+]CC1 ZINC000160988155 426004647 /nfs/dbraw/zinc/00/46/47/426004647.db2.gz OOHNUJZLBFMOAA-UHFFFAOYSA-N 1 0 308.447 2.642 20 70 DFIDRO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(OCC2CCOCC2)cc1 ZINC000159416907 425959928 /nfs/dbraw/zinc/95/99/28/425959928.db2.gz INPWNZXPFIWVGI-MRXNPFEDSA-N 1 0 318.417 2.573 20 70 DFIDRO CC1(C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000159455467 425960269 /nfs/dbraw/zinc/96/02/69/425960269.db2.gz AWJHVCNSIKPCKF-HNNXBMFYSA-N 1 0 304.409 2.952 20 70 DFIDRO CC[C@H](C)OCC(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000159454878 425960641 /nfs/dbraw/zinc/96/06/41/425960641.db2.gz NRYHXASCAURLLG-AWEZNQCLSA-N 1 0 322.424 2.721 20 70 DFIDRO CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1Cl ZINC000159463552 425960687 /nfs/dbraw/zinc/96/06/87/425960687.db2.gz WRFRYBVCDIFCMT-BETUJISGSA-N 1 0 306.837 2.971 20 70 DFIDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)CCN1C ZINC000159452526 425960989 /nfs/dbraw/zinc/96/09/89/425960989.db2.gz KUKFUTDGTCJSNS-BPQIPLTHSA-N 1 0 312.461 2.599 20 70 DFIDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2C#N)C1)C1CCOCC1 ZINC000159519231 425961518 /nfs/dbraw/zinc/96/15/18/425961518.db2.gz AIPMAHQOPAXMKI-YJBOKZPZSA-N 1 0 313.445 2.932 20 70 DFIDRO O=C(CCCOc1ccc(Cl)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159481761 425961775 /nfs/dbraw/zinc/96/17/75/425961775.db2.gz SGLDFQPJBLOHHF-GASCZTMLSA-N 1 0 322.836 2.852 20 70 DFIDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2C#N)C1)C1CCOCC1 ZINC000159519357 425962152 /nfs/dbraw/zinc/96/21/52/425962152.db2.gz AIPMAHQOPAXMKI-QAPCUYQASA-N 1 0 313.445 2.932 20 70 DFIDRO C[C@H](NC(=O)C1([NH3+])CCCCC1)c1ccccc1-n1cccn1 ZINC000159593296 425963178 /nfs/dbraw/zinc/96/31/78/425963178.db2.gz CQVNSSRKAIVAOE-AWEZNQCLSA-N 1 0 312.417 2.711 20 70 DFIDRO C[C@@H](CNc1ccnc2c(F)cc(F)cc12)C[NH+]1CCOCC1 ZINC000159575279 425963205 /nfs/dbraw/zinc/96/32/05/425963205.db2.gz WTMGEGTWIAKFDQ-LBPRGKRZSA-N 1 0 321.371 2.893 20 70 DFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000159627087 425964730 /nfs/dbraw/zinc/96/47/30/425964730.db2.gz ABVVRQQJPPITMH-PBHICJAKSA-N 1 0 309.413 2.834 20 70 DFIDRO CN(Cc1ccc(Br)c(F)c1)[C@@H](C[NH3+])C1CC1 ZINC000159683714 425965900 /nfs/dbraw/zinc/96/59/00/425965900.db2.gz FVMMZCQIYHHXMU-ZDUSSCGKSA-N 1 0 301.203 2.757 20 70 DFIDRO C[C@@H](COc1ccccc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159801100 425967512 /nfs/dbraw/zinc/96/75/12/425967512.db2.gz HXUJHVIQHAWLBJ-HNNXBMFYSA-N 1 0 316.445 2.692 20 70 DFIDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cc(F)ccc1Br ZINC000161024062 426005244 /nfs/dbraw/zinc/00/52/44/426005244.db2.gz HYTHSLAKJRJXEB-HUTHGQBESA-N 1 0 322.243 2.835 20 70 DFIDRO [NH3+]C1(C(=O)N[C@H](Cc2ccccc2)C2CC2)Cc2ccccc2C1 ZINC000159821129 425968434 /nfs/dbraw/zinc/96/84/34/425968434.db2.gz ZQWLEHIWGJGQSW-LJQANCHMSA-N 1 0 320.436 2.620 20 70 DFIDRO C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159832441 425969436 /nfs/dbraw/zinc/96/94/36/425969436.db2.gz NDZZMZNLVOSEAQ-INIZCTEOSA-N 1 0 317.477 2.976 20 70 DFIDRO C=CCN(CC=C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000159950645 425971276 /nfs/dbraw/zinc/97/12/76/425971276.db2.gz WCQYLRSPSGCHJH-AEFFLSMTSA-N 1 0 313.445 2.891 20 70 DFIDRO CCN1CCC[C@@H]1C[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159966115 425971976 /nfs/dbraw/zinc/97/19/76/425971976.db2.gz PNUXNNSQYLPFAP-QGZVFWFLSA-N 1 0 323.525 2.687 20 70 DFIDRO C[C@@H]1C[C@@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CCN1C ZINC000160000406 425972585 /nfs/dbraw/zinc/97/25/85/425972585.db2.gz CYJJNKKOMBVYIG-WBVHZDCISA-N 1 0 323.525 2.686 20 70 DFIDRO Cc1ccc(-c2nc(C(=O)NCC(C)(C)[NH3+])cs2)c(C)c1 ZINC000160023246 425972727 /nfs/dbraw/zinc/97/27/27/425972727.db2.gz VALCWYHYGVTEFZ-UHFFFAOYSA-N 1 0 303.431 2.894 20 70 DFIDRO Cc1cc(O[C@@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000160011813 425973153 /nfs/dbraw/zinc/97/31/53/425973153.db2.gz YQJRMZKPCUZNBO-MELADBBJSA-N 1 0 322.836 2.769 20 70 DFIDRO Cn1ncc2c1CCC[C@H]2[NH2+]CCOc1ccc(F)cc1F ZINC000160096627 425973700 /nfs/dbraw/zinc/97/37/00/425973700.db2.gz SZCHCNQYLWRNKV-CQSZACIVSA-N 1 0 307.344 2.744 20 70 DFIDRO CCCCn1ncc(NC(=O)NC[C@@H](C)[NH+](CC)CC)c1C ZINC000160125589 425975672 /nfs/dbraw/zinc/97/56/72/425975672.db2.gz RYRSGDXTSAXPMG-CYBMUJFWSA-N 1 0 309.458 2.843 20 70 DFIDRO CCC[C@H]([NH2+][C@H](CC)COC)C(=O)N1CCc2sccc2C1 ZINC000160200575 425976149 /nfs/dbraw/zinc/97/61/49/425976149.db2.gz QOKQJOIVBMPFOH-CABCVRRESA-N 1 0 324.490 2.816 20 70 DFIDRO CCOC[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160176347 425976306 /nfs/dbraw/zinc/97/63/06/425976306.db2.gz GXQRKUXHIVKLFN-UKRRQHHQSA-N 1 0 305.397 2.681 20 70 DFIDRO CS[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000161008741 426005543 /nfs/dbraw/zinc/00/55/43/426005543.db2.gz IAHAFOKLZNJWOA-ZDUSSCGKSA-N 1 0 312.454 2.858 20 70 DFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2F)n1 ZINC000160353870 425980290 /nfs/dbraw/zinc/98/02/90/425980290.db2.gz YZDLIAWHRBDIQL-JTQLQIEISA-N 1 0 305.378 2.513 20 70 DFIDRO Fc1ccccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161395995 426022522 /nfs/dbraw/zinc/02/25/22/426022522.db2.gz VQASMWPRSZNKMA-AWEZNQCLSA-N 1 0 300.381 2.743 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000161420349 426023418 /nfs/dbraw/zinc/02/34/18/426023418.db2.gz PUBOSJIFYQABGN-UHFFFAOYSA-N 1 0 319.453 2.678 20 70 DFIDRO CCCCn1ncc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1C ZINC000161409282 426023637 /nfs/dbraw/zinc/02/36/37/426023637.db2.gz JFZHTNPMPSEDIN-UHFFFAOYSA-N 1 0 320.481 2.986 20 70 DFIDRO C[C@](NCCC[NH+]1CCCCC1)(C(N)=O)c1cccc(Cl)c1 ZINC000161438656 426024293 /nfs/dbraw/zinc/02/42/93/426024293.db2.gz BJJOHLKCEROGSI-QGZVFWFLSA-N 1 0 323.868 2.506 20 70 DFIDRO CC(=O)NC1CCC([NH2+]CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000161488107 426026398 /nfs/dbraw/zinc/02/63/98/426026398.db2.gz QOVRNTHVBCRIHO-UHFFFAOYSA-N 1 0 317.408 2.886 20 70 DFIDRO C[C@@H]1CN(Cc2ccc(Br)c(F)c2)CC[C@@H]1[NH3+] ZINC000161507741 426027453 /nfs/dbraw/zinc/02/74/53/426027453.db2.gz FLBQLJKKHBSDGL-RNCFNFMXSA-N 1 0 301.203 2.757 20 70 DFIDRO C[C@@H](CNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)C[NH+]1CCCC1 ZINC000161071823 426007463 /nfs/dbraw/zinc/00/74/63/426007463.db2.gz MRJPAXMPYYTDET-CFVMTHIKSA-N 1 0 322.399 2.916 20 70 DFIDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1CCOC1 ZINC000161115966 426008989 /nfs/dbraw/zinc/00/89/89/426008989.db2.gz WSMNHUAQXCJMGO-RBSFLKMASA-N 1 0 324.415 2.944 20 70 DFIDRO CC[C@@H](COC)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161130804 426009733 /nfs/dbraw/zinc/00/97/33/426009733.db2.gz ZQJLRGWJOXLJBU-UONOGXRCSA-N 1 0 312.404 2.944 20 70 DFIDRO CC[C@@H](COC)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161131055 426009974 /nfs/dbraw/zinc/00/99/74/426009974.db2.gz ZQJLRGWJOXLJBU-KBPBESRZSA-N 1 0 312.404 2.944 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000161152460 426010932 /nfs/dbraw/zinc/01/09/32/426010932.db2.gz JREILNCEINQLBR-LLVKDONJSA-N 1 0 317.216 2.583 20 70 DFIDRO OCCCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161196574 426012570 /nfs/dbraw/zinc/01/25/70/426012570.db2.gz RLJXQCCMTLCPMG-ZIAGYGMSSA-N 1 0 303.324 2.586 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)COc1ccc(F)cc1F ZINC000161189499 426012981 /nfs/dbraw/zinc/01/29/81/426012981.db2.gz IRJONAHIUBNIJY-LLVKDONJSA-N 1 0 314.376 2.613 20 70 DFIDRO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)C(=O)NCc1ccccc1 ZINC000161208327 426014224 /nfs/dbraw/zinc/01/42/24/426014224.db2.gz STCZMVCWWOQMTG-QWHCGFSZSA-N 1 0 301.365 2.576 20 70 DFIDRO CC1(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000161261498 426016155 /nfs/dbraw/zinc/01/61/55/426016155.db2.gz CHONHPMQTFPWHD-INIZCTEOSA-N 1 0 301.434 2.893 20 70 DFIDRO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000161259147 426016334 /nfs/dbraw/zinc/01/63/34/426016334.db2.gz WEOBXUNHZWKYQJ-MOPGFXCFSA-N 1 0 308.425 2.694 20 70 DFIDRO C=CCN(C)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000161260914 426016470 /nfs/dbraw/zinc/01/64/70/426016470.db2.gz AHOGQVZHZLTCKP-QGZVFWFLSA-N 1 0 317.433 2.660 20 70 DFIDRO C#CCOc1ccc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)cc1 ZINC000161288101 426017538 /nfs/dbraw/zinc/01/75/38/426017538.db2.gz KFZFIATZHTYRFM-INIZCTEOSA-N 1 0 316.445 2.939 20 70 DFIDRO Cc1nc2ncnn2c(NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC000161295899 426017731 /nfs/dbraw/zinc/01/77/31/426017731.db2.gz OMEVHHCQYZMSHI-OAHLLOKOSA-N 1 0 316.453 2.521 20 70 DFIDRO CCC[C@H](C(=O)N(C)Cc1cnn(-c2ccccc2)c1)[NH+](C)C ZINC000161315933 426018074 /nfs/dbraw/zinc/01/80/74/426018074.db2.gz RTLNNRMPGIFOBK-QGZVFWFLSA-N 1 0 314.433 2.561 20 70 DFIDRO CC(=O)NC1CCC([NH2+]CCCOCCc2ccccc2)CC1 ZINC000161321618 426018656 /nfs/dbraw/zinc/01/86/56/426018656.db2.gz YLKFXKFLURDELG-UHFFFAOYSA-N 1 0 318.461 2.673 20 70 DFIDRO Cc1nnc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(C#N)c1C ZINC000161317314 426019048 /nfs/dbraw/zinc/01/90/48/426019048.db2.gz YGDNQSKABWYUKJ-OAHLLOKOSA-N 1 0 301.438 2.745 20 70 DFIDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(N(C)C)cc1F ZINC000161330417 426019490 /nfs/dbraw/zinc/01/94/90/426019490.db2.gz LMYIWAFCNKQZHS-CYBMUJFWSA-N 1 0 309.429 2.598 20 70 DFIDRO CCC[C@H](C(=O)N(C)Cc1ccccc1N1CCCC1)[NH+](C)C ZINC000161330145 426019845 /nfs/dbraw/zinc/01/98/45/426019845.db2.gz YROVWDFGYSJCGL-GOSISDBHSA-N 1 0 317.477 2.976 20 70 DFIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCc1ccc(F)cc1F ZINC000161331287 426020284 /nfs/dbraw/zinc/02/02/84/426020284.db2.gz SFUSLQIKNNRJIF-HNNXBMFYSA-N 1 0 312.404 2.990 20 70 DFIDRO C[C@]1(C(=O)NCc2ccc(F)cc2C(F)(F)F)CCC[NH2+]C1 ZINC000161334901 426020312 /nfs/dbraw/zinc/02/03/12/426020312.db2.gz GUJSNFSRDUFLAT-AWEZNQCLSA-N 1 0 318.314 2.850 20 70 DFIDRO COC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc(OC)c1 ZINC000161334112 426020341 /nfs/dbraw/zinc/02/03/41/426020341.db2.gz PCXRZAPPOLCWHF-HKUYNNGSSA-N 1 0 315.413 2.576 20 70 DFIDRO C[N@H+](CCc1ccncc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161356087 426020892 /nfs/dbraw/zinc/02/08/92/426020892.db2.gz UOHXJWBIWAQMEA-UHFFFAOYSA-N 1 0 317.477 2.841 20 70 DFIDRO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000161347739 426021124 /nfs/dbraw/zinc/02/11/24/426021124.db2.gz JEKXGOLZGRHYHG-LBPRGKRZSA-N 1 0 306.360 2.956 20 70 DFIDRO C[N@H+](CCN1CCCC[C@@H]1c1nc[nH]n1)Cc1ccc(F)cc1 ZINC000161357435 426021324 /nfs/dbraw/zinc/02/13/24/426021324.db2.gz YSFQNUPAGULXDL-MRXNPFEDSA-N 1 0 317.412 2.603 20 70 DFIDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000217861318 426565298 /nfs/dbraw/zinc/56/52/98/426565298.db2.gz ISXNTMFNRWFWCC-QGZVFWFLSA-N 1 0 308.491 2.881 20 70 DFIDRO CCN(CC[NH2+]Cc1cn2ccccc2n1)C(=O)OC(C)(C)C ZINC000218320218 426567962 /nfs/dbraw/zinc/56/79/62/426567962.db2.gz DKGWWTBVJFQYJF-UHFFFAOYSA-N 1 0 318.421 2.681 20 70 DFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000159569628 274266501 /nfs/dbraw/zinc/26/65/01/274266501.db2.gz RXMRARLKLAALFI-CABCVRRESA-N 1 0 312.413 2.993 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCOc3ccccc32)CC1 ZINC000159791289 276367240 /nfs/dbraw/zinc/36/72/40/276367240.db2.gz VDTDNFFRAQYEIU-INIZCTEOSA-N 1 0 317.433 2.638 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(OC(C)C)cc1 ZINC000161222692 277031849 /nfs/dbraw/zinc/03/18/49/277031849.db2.gz ZMPYVMYXRMNSHA-YCABEKBOSA-N 1 0 302.418 2.697 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc2ccc(Cl)cc2n1 ZINC000161239181 277032997 /nfs/dbraw/zinc/03/29/97/277032997.db2.gz WRFDXFVECHNHMB-CYBMUJFWSA-N 1 0 303.793 2.712 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000160471943 279143667 /nfs/dbraw/zinc/14/36/67/279143667.db2.gz IILVGCKPJMKGFY-GDBMZVCRSA-N 1 0 324.428 2.937 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000161149535 279497887 /nfs/dbraw/zinc/49/78/87/279497887.db2.gz MVZUCRYLUCCAQB-GJZGRUSLSA-N 1 0 322.399 2.916 20 70 DFIDRO O=C([C@@H]1CCC[NH2+]C1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000161010740 280087173 /nfs/dbraw/zinc/08/71/73/280087173.db2.gz KEZKBHASSLXLFS-HIFRSBDPSA-N 1 0 324.877 2.956 20 70 DFIDRO CC1CCC(N(C[C@@H]2CCCO2)C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000161222389 281736233 /nfs/dbraw/zinc/73/62/33/281736233.db2.gz MJBHFIFLDIIPEQ-QLOXVCQLSA-N 1 0 308.466 2.700 20 70 DFIDRO Cc1n[nH]cc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160208003 293136176 /nfs/dbraw/zinc/13/61/76/293136176.db2.gz RMNKKOBGIWJZIE-INIZCTEOSA-N 1 0 301.390 2.605 20 70 DFIDRO COc1cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)ccc1F ZINC000159559395 295378236 /nfs/dbraw/zinc/37/82/36/295378236.db2.gz OROINZSGKRSGJB-UHFFFAOYSA-N 1 0 316.376 2.826 20 70 DFIDRO Cc1c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cnn1CC(C)C ZINC000159789410 295381558 /nfs/dbraw/zinc/38/15/58/295381558.db2.gz SXPGRYOYAPFGIO-HNNXBMFYSA-N 1 0 320.481 2.698 20 70 DFIDRO CC(C)[NH+](CCCNC(=O)N(C)CC1CCOCC1)C(C)C ZINC000159834040 295382518 /nfs/dbraw/zinc/38/25/18/295382518.db2.gz SJKSWRJLBBRTTM-UHFFFAOYSA-N 1 0 313.486 2.563 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NCc1ccccc1 ZINC000159866620 295383163 /nfs/dbraw/zinc/38/31/63/295383163.db2.gz WHSFRXDNFYLNCN-UHFFFAOYSA-N 1 0 317.458 2.712 20 70 DFIDRO C[NH+]1CCC(Oc2ccc(NCc3cncs3)cn2)CC1 ZINC000160063821 295386239 /nfs/dbraw/zinc/38/62/39/295386239.db2.gz JWFPOZKMHOICHK-UHFFFAOYSA-N 1 0 304.419 2.623 20 70 DFIDRO CCCCn1ncc(NC(=O)NCC[N@H+](C)CCCC)c1C ZINC000160090458 295386541 /nfs/dbraw/zinc/38/65/41/295386541.db2.gz MMJZVXJCRKKSHO-UHFFFAOYSA-N 1 0 309.458 2.845 20 70 DFIDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCc3cccc(F)c3C2)C1 ZINC000160175519 295387272 /nfs/dbraw/zinc/38/72/72/295387272.db2.gz SEJKPYPRCQQHFJ-LSDHHAIUSA-N 1 0 319.424 2.766 20 70 DFIDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCc3cccc(F)c3C2)C1 ZINC000160175723 295387380 /nfs/dbraw/zinc/38/73/80/295387380.db2.gz SEJKPYPRCQQHFJ-HUUCEWRRSA-N 1 0 319.424 2.766 20 70 DFIDRO C[C@H]1C[C@@H](NC(=O)N(C)CC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000160195958 295387771 /nfs/dbraw/zinc/38/77/71/295387771.db2.gz BMBNRNHSHYFOJC-GXTWGEPZSA-N 1 0 311.376 2.556 20 70 DFIDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC3(CCC3)C2)C1 ZINC000160287947 295389482 /nfs/dbraw/zinc/38/94/82/295389482.db2.gz ZJLIIFZWBFOCTB-HOTGVXAUSA-N 1 0 307.482 2.940 20 70 DFIDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)ccc1[N+](=O)[O-] ZINC000160448906 295391135 /nfs/dbraw/zinc/39/11/35/295391135.db2.gz GJHATBLSHGIIKM-OAHLLOKOSA-N 1 0 319.405 2.753 20 70 DFIDRO COCC[N@H+](Cc1ccccc1)Cc1ccc(-n2cncn2)cc1 ZINC000160450983 295391698 /nfs/dbraw/zinc/39/16/98/295391698.db2.gz LTYLRNQHGXHILQ-UHFFFAOYSA-N 1 0 322.412 2.916 20 70 DFIDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc2cccnc21 ZINC000160494063 295392024 /nfs/dbraw/zinc/39/20/24/295392024.db2.gz RZWTXYSZKCXLRC-CYBMUJFWSA-N 1 0 315.392 2.978 20 70 DFIDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000160582377 295392816 /nfs/dbraw/zinc/39/28/16/295392816.db2.gz UAIONNJGUJKZRR-CPUCHLNUSA-N 1 0 320.433 2.553 20 70 DFIDRO c1cc(CN2CCOCC2)ccc1C[NH2+]C(C1CC1)C1CC1 ZINC000160582745 295392843 /nfs/dbraw/zinc/39/28/43/295392843.db2.gz JQHRZGIHHWOUOP-UHFFFAOYSA-N 1 0 300.446 2.797 20 70 DFIDRO CN(C(=O)c1cccc(C[NH+](C)C)c1)c1ccc2c(c1)OCO2 ZINC000160568174 295392969 /nfs/dbraw/zinc/39/29/69/295392969.db2.gz QXQZYRZSEARFKY-UHFFFAOYSA-N 1 0 312.369 2.754 20 70 DFIDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000160606658 295393458 /nfs/dbraw/zinc/39/34/58/295393458.db2.gz WCECATRTXXKESZ-VBQJREDUSA-N 1 0 320.433 2.553 20 70 DFIDRO Cc1ccc(C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C(C)C)cc1 ZINC000160616075 295393886 /nfs/dbraw/zinc/39/38/86/295393886.db2.gz ASITZQMYDATMQS-CQSZACIVSA-N 1 0 316.367 2.830 20 70 DFIDRO COc1ccc2[nH]cc(C3=CCN(Cc4nncn4C)CC3)c2c1 ZINC000160805773 295395403 /nfs/dbraw/zinc/39/54/03/295395403.db2.gz CKRAZYJHLLVROR-UHFFFAOYSA-N 1 0 323.400 2.594 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C2CCOCC2)C1 ZINC000160853521 295395901 /nfs/dbraw/zinc/39/59/01/295395901.db2.gz OTTNVMRYUONKQL-JKSUJKDBSA-N 1 0 310.482 2.533 20 70 DFIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000160887874 295396451 /nfs/dbraw/zinc/39/64/51/295396451.db2.gz WJNOBFQPGCGHRL-RHSMWYFYSA-N 1 0 316.449 2.878 20 70 DFIDRO CC(C)C[C@@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000161022712 295397644 /nfs/dbraw/zinc/39/76/44/295397644.db2.gz YOHSPWOBLQFLMS-ROUUACIJSA-N 1 0 318.461 2.564 20 70 DFIDRO CCC[N@H+](CCO)Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000161214254 295399943 /nfs/dbraw/zinc/39/99/43/295399943.db2.gz BMFVRXNMOQLLTG-UHFFFAOYSA-N 1 0 321.339 2.841 20 70 DFIDRO COc1cc(/C=C/C(=O)N(CC[NH+](C)C)C(C)C)ccc1F ZINC000161182325 295399996 /nfs/dbraw/zinc/39/99/96/295399996.db2.gz JVZSMWIJWBUWAL-VQHVLOKHSA-N 1 0 308.397 2.646 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000161249906 295400600 /nfs/dbraw/zinc/40/06/00/295400600.db2.gz GHIGDYHUXMPNED-LLVKDONJSA-N 1 0 313.239 2.861 20 70 DFIDRO CC(C)(CNC(=O)N[C@@H]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000161255201 295400856 /nfs/dbraw/zinc/40/08/56/295400856.db2.gz OUVBGRXKJIGZEM-CQSZACIVSA-N 1 0 311.470 2.508 20 70 DFIDRO O[C@@H](C1CC[NH+](CCOc2cccc(F)c2)CC1)C(F)(F)F ZINC000161359652 295401977 /nfs/dbraw/zinc/40/19/77/295401977.db2.gz BBJYWIAMRLNKLO-AWEZNQCLSA-N 1 0 321.314 2.840 20 70 DFIDRO Cc1cc(O[C@@H](C)C(=O)N2CCC[C@H]2C[NH3+])ccc1C(C)C ZINC000160377181 301377800 /nfs/dbraw/zinc/37/78/00/301377800.db2.gz OQPNQNNZOYIJMH-GJZGRUSLSA-N 1 0 304.434 2.835 20 70 DFIDRO CC[C@@H](C)OCC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161489793 522244999 /nfs/dbraw/zinc/24/49/99/522244999.db2.gz STUIFGRZBJSWEG-KLAILNCOSA-N 1 0 310.482 2.961 20 70 DFIDRO C[NH+](C)CC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000160500536 524042824 /nfs/dbraw/zinc/04/28/24/524042824.db2.gz OEVRLKSXAFEKGH-UHFFFAOYSA-N 1 0 312.335 2.883 20 70 DFIDRO COc1ccc(OC)c(C[NH+]2CCC(c3cnn(C)c3)CC2)c1 ZINC000160444661 524824078 /nfs/dbraw/zinc/82/40/78/524824078.db2.gz POSOLPWPUYOZNA-UHFFFAOYSA-N 1 0 315.417 2.817 20 70 DFIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(N2CCOCC2)cc1 ZINC000160440288 525502099 /nfs/dbraw/zinc/50/20/99/525502099.db2.gz LUVIBKMNBQXONP-SUMDDJOVSA-N 1 0 318.461 2.725 20 70 DFIDRO O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1C[C@H]1c1cccnc1 ZINC000159678848 526335664 /nfs/dbraw/zinc/33/56/64/526335664.db2.gz TVTUXOYHPLJAIZ-DLBZAZTESA-N 1 0 301.434 2.614 20 70 DFIDRO O=C(CSc1ccc(Cl)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160352939 527033131 /nfs/dbraw/zinc/03/31/31/527033131.db2.gz JETNSCYBVAYSFT-BETUJISGSA-N 1 0 310.850 2.785 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCSc3ccccc31)CC2 ZINC000160378328 527198271 /nfs/dbraw/zinc/19/82/71/527198271.db2.gz ZZXBIIDWDDWVSZ-OCCSQVGLSA-N 1 0 300.431 2.728 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCSc3ccccc31)CC2 ZINC000160378137 527198857 /nfs/dbraw/zinc/19/88/57/527198857.db2.gz ZZXBIIDWDDWVSZ-TZMCWYRMSA-N 1 0 300.431 2.728 20 70 DFIDRO O=C(/C=C/c1ccnc2ccccc12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160388950 527642970 /nfs/dbraw/zinc/64/29/70/527642970.db2.gz XRCHEUPYRFYITA-KZQNYRHTSA-N 1 0 307.397 2.601 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3cc(Cl)ccc31)CC2 ZINC000160531481 282128113 /nfs/dbraw/zinc/12/81/13/282128113.db2.gz RGZJLRSLSCLECV-HIFRSBDPSA-N 1 0 302.809 2.832 20 70 DFIDRO c1cnn(-c2ccc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)c1 ZINC000159551976 186126935 /nfs/dbraw/zinc/12/69/35/186126935.db2.gz LXTDFYHJAVIOOX-BZSNNMDCSA-N 1 0 309.413 2.920 20 70 DFIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cnc2ccsc2c1 ZINC000159554224 186126977 /nfs/dbraw/zinc/12/69/77/186126977.db2.gz OJSPUIQMSYRYFB-GFCCVEGCSA-N 1 0 303.431 2.959 20 70 DFIDRO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159570625 186127536 /nfs/dbraw/zinc/12/75/36/186127536.db2.gz SUWZTWSFYWYKBM-WFASDCNBSA-N 1 0 310.825 2.761 20 70 DFIDRO C[NH+](C)CC[C@@H](NC(=O)c1cccc2[nH]cnc21)C(C)(C)C ZINC000159572356 186127975 /nfs/dbraw/zinc/12/79/75/186127975.db2.gz QVMJMLJJPQJEIE-CQSZACIVSA-N 1 0 302.422 2.659 20 70 DFIDRO CCCOc1ccc(CNC(=O)N2CCC[N@H+](CC)CC2)cc1 ZINC000159605027 186130195 /nfs/dbraw/zinc/13/01/95/186130195.db2.gz HGBCVQTYJFPVAL-UHFFFAOYSA-N 1 0 319.449 2.713 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1 ZINC000159647821 186132909 /nfs/dbraw/zinc/13/29/09/186132909.db2.gz VYEWZGOLJYFBSU-OLZOCXBDSA-N 1 0 321.446 2.626 20 70 DFIDRO O=C(CSCc1ccccn1)NCC[NH2+]C1CCCCCC1 ZINC000159652524 186133051 /nfs/dbraw/zinc/13/30/51/186133051.db2.gz MKTXZGOXRMIXEH-UHFFFAOYSA-N 1 0 321.490 2.743 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1 ZINC000159648105 186133122 /nfs/dbraw/zinc/13/31/22/186133122.db2.gz VYEWZGOLJYFBSU-CHWSQXEVSA-N 1 0 321.446 2.626 20 70 DFIDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(OC)c1 ZINC000159656257 186133307 /nfs/dbraw/zinc/13/33/07/186133307.db2.gz IQTXQCLJOSGGPD-OIISXLGYSA-N 1 0 303.402 2.751 20 70 DFIDRO c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159682591 186135100 /nfs/dbraw/zinc/13/51/00/186135100.db2.gz RPADCYRHBCRQEH-QRVBRYPASA-N 1 0 323.440 2.979 20 70 DFIDRO CCc1cccc(C)c1NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159692163 186135519 /nfs/dbraw/zinc/13/55/19/186135519.db2.gz KUUXUXXNPGHZOQ-CVEARBPZSA-N 1 0 304.434 2.589 20 70 DFIDRO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159731887 186137871 /nfs/dbraw/zinc/13/78/71/186137871.db2.gz LRHBHTHNFMVUIL-KRWDZBQOSA-N 1 0 322.412 2.623 20 70 DFIDRO CCO[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000159742793 186139157 /nfs/dbraw/zinc/13/91/57/186139157.db2.gz HWNDOUMQVGYXRJ-SFHVURJKSA-N 1 0 316.445 2.755 20 70 DFIDRO COc1ccccc1C[N@H+](CCn1ccnc1)C[C@H]1CCCO1 ZINC000159744099 186139430 /nfs/dbraw/zinc/13/94/30/186139430.db2.gz SNLKDLSDNCPUKT-QGZVFWFLSA-N 1 0 315.417 2.573 20 70 DFIDRO [NH3+]C[C@H]1CCCN1C(=O)CSc1ccc2ccccc2c1 ZINC000160195887 283380119 /nfs/dbraw/zinc/38/01/19/283380119.db2.gz AEZCKRIQBAADSN-OAHLLOKOSA-N 1 0 300.427 2.882 20 70 DFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000160312534 283509132 /nfs/dbraw/zinc/50/91/32/283509132.db2.gz VTAHDYDAICEZFV-GFCCVEGCSA-N 1 0 305.765 2.558 20 70 DFIDRO Cc1nn(C)cc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000159628210 398965340 /nfs/dbraw/zinc/96/53/40/398965340.db2.gz SJOQDLXTNARMPC-SFHVURJKSA-N 1 0 315.417 2.987 20 70 DFIDRO CCSCC[C@H](C)[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000160143627 398969386 /nfs/dbraw/zinc/96/93/86/398969386.db2.gz IEEFRUWOJAEIPP-JSGCOSHPSA-N 1 0 301.427 2.687 20 70 DFIDRO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000160486296 398969959 /nfs/dbraw/zinc/96/99/59/398969959.db2.gz XYXDGQGBWBWGNP-KURKYZTESA-N 1 0 315.461 2.743 20 70 DFIDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)CC[NH2+]C(C)C ZINC000161058674 398974777 /nfs/dbraw/zinc/97/47/77/398974777.db2.gz IJACMWPGRSTFLT-MLGOLLRUSA-N 1 0 312.841 2.920 20 70 DFIDRO CN(C(=O)Cc1ccccc1OC(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161452854 197496201 /nfs/dbraw/zinc/49/62/01/197496201.db2.gz RGKIXXDNQBSLOH-PBWFPOADSA-N 1 0 324.371 2.572 20 70 DFIDRO COc1ccccc1[C@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000161438458 197494094 /nfs/dbraw/zinc/49/40/94/197494094.db2.gz RGKYFKQWTBJMSH-INIZCTEOSA-N 1 0 310.397 2.784 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000161240235 197477313 /nfs/dbraw/zinc/47/73/13/197477313.db2.gz QQBZGZXOTUUDHM-OAHLLOKOSA-N 1 0 306.406 2.558 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000161211876 197475663 /nfs/dbraw/zinc/47/56/63/197475663.db2.gz VJPBGVWLMVZHAM-GDBMZVCRSA-N 1 0 318.461 2.962 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)CCCOc2ccccc2F)CC1 ZINC000161104479 197465206 /nfs/dbraw/zinc/46/52/06/197465206.db2.gz RJUKQIOWNWRAPK-UHFFFAOYSA-N 1 0 322.424 2.833 20 70 DFIDRO C[C@@H](CNC(=O)c1cc(F)cc2cccnc21)C[NH+]1CCCC1 ZINC000161101016 197464873 /nfs/dbraw/zinc/46/48/73/197464873.db2.gz HRRJQBPLLKGBMA-ZDUSSCGKSA-N 1 0 315.392 2.836 20 70 DFIDRO CC[C@@H](COC)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000161044119 197460415 /nfs/dbraw/zinc/46/04/15/197460415.db2.gz XVMXILLXGRVCAS-INIZCTEOSA-N 1 0 304.434 2.614 20 70 DFIDRO CC(=O)Nc1ccccc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000160587006 197423742 /nfs/dbraw/zinc/42/37/42/197423742.db2.gz WXESHWUHMHNHDX-WBVHZDCISA-N 1 0 320.458 2.789 20 70 DFIDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(N2CCOC2=O)cc1 ZINC000160483482 197414947 /nfs/dbraw/zinc/41/49/47/197414947.db2.gz MFVJKOHSZUEROY-LXZKKBNFSA-N 1 0 318.417 2.845 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)COc2ccccc2-c2ccccc2)C1 ZINC000160507168 197417312 /nfs/dbraw/zinc/41/73/12/197417312.db2.gz HYISHNLJMCCLJX-MRXNPFEDSA-N 1 0 310.397 2.553 20 70 DFIDRO CC(C)(CNC(=O)[C@H]1CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000160043137 197381706 /nfs/dbraw/zinc/38/17/06/197381706.db2.gz JPNKDLKYBXXUIN-NSHDSACASA-N 1 0 312.816 2.873 20 70 DFIDRO CNC(=O)CC1CC[NH+](Cc2ccc(OC)c(Cl)c2)CC1 ZINC000160134909 197388096 /nfs/dbraw/zinc/38/80/96/197388096.db2.gz AJCWDRVNJNADFX-UHFFFAOYSA-N 1 0 310.825 2.697 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000160106243 197386655 /nfs/dbraw/zinc/38/66/55/197386655.db2.gz TVYIGLHCPNVOFC-DOTOQJQBSA-N 1 0 306.475 2.647 20 70 DFIDRO CC[C@H](CC(=O)NC[C@@H]1CC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000160108304 197386197 /nfs/dbraw/zinc/38/61/97/197386197.db2.gz RYYILIZDGQRPHN-LSDHHAIUSA-N 1 0 304.434 2.647 20 70 DFIDRO CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159873296 197370404 /nfs/dbraw/zinc/37/04/04/197370404.db2.gz XZUYHQTZJNUHKL-KMFMINBZSA-N 1 0 304.434 2.669 20 70 DFIDRO CC[C@H](COC)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000159866763 197370352 /nfs/dbraw/zinc/37/03/52/197370352.db2.gz SVYUTRLBHDOKJT-GDBMZVCRSA-N 1 0 321.465 2.840 20 70 DFIDRO CCC[C@H]([NH3+])C(=O)NCc1cccc(OC)c1OC1CCCC1 ZINC000159857336 197369223 /nfs/dbraw/zinc/36/92/23/197369223.db2.gz ZYDZXVHIDWDDFE-HNNXBMFYSA-N 1 0 320.433 2.760 20 70 DFIDRO CC(C)c1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159763513 197362244 /nfs/dbraw/zinc/36/22/44/197362244.db2.gz XLZCDXYOIVNUPK-WBVHZDCISA-N 1 0 304.434 2.841 20 70 DFIDRO c1cn(-c2ccc(C[NH2+][C@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)cn1 ZINC000159538202 197360628 /nfs/dbraw/zinc/36/06/28/197360628.db2.gz AJAWYBQMQLAQAH-SQNIBIBYSA-N 1 0 309.413 2.920 20 70 DFIDRO COc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1OC ZINC000159510916 197360105 /nfs/dbraw/zinc/36/01/05/197360105.db2.gz ZGRAKBHGNLHHRN-XYPHTWIQSA-N 1 0 303.402 2.751 20 70 DFIDRO CC[NH+](CC)CCNC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000159458307 197355408 /nfs/dbraw/zinc/35/54/08/197355408.db2.gz VELILXZJZLJISY-SJORKVTESA-N 1 0 319.449 2.548 20 70 DFIDRO CC[NH+](CC)CCNC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000159458577 197355123 /nfs/dbraw/zinc/35/51/23/197355123.db2.gz VELILXZJZLJISY-IAGOWNOFSA-N 1 0 319.449 2.548 20 70 DFIDRO CC[C@H]([NH2+]CCN(CC)C(=O)OC(C)(C)C)c1cnn(C)c1 ZINC000159449936 197354331 /nfs/dbraw/zinc/35/43/31/197354331.db2.gz HSKLGWHPDXKCHV-AWEZNQCLSA-N 1 0 310.442 2.718 20 70 DFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000159439828 197353350 /nfs/dbraw/zinc/35/33/50/197353350.db2.gz AVOAGVINTUAVEU-BDAKNGLRSA-N 1 0 305.205 2.633 20 70 DFIDRO CC[N@H+](CCOC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159421958 197352262 /nfs/dbraw/zinc/35/22/62/197352262.db2.gz RNRFUBYTBDIYEI-UHFFFAOYSA-N 1 0 317.183 2.826 20 70 DFIDRO CC[C@H]1CN(c2cc(Cl)nc(C3CC3)n2)CC[N@@H+]1CCOC ZINC000159406930 197351605 /nfs/dbraw/zinc/35/16/05/197351605.db2.gz NGBWWRQUNHPQEP-ZDUSSCGKSA-N 1 0 324.856 2.554 20 70 DFIDRO COc1ccccc1/C=C(/C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000159395988 197351003 /nfs/dbraw/zinc/35/10/03/197351003.db2.gz NCTPFIWNGDTTSC-OBGWFSINSA-N 1 0 322.408 2.668 20 70 DFIDRO Cc1ccc(C)c(SCC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000159394117 197350379 /nfs/dbraw/zinc/35/03/79/197350379.db2.gz LJJSQSGNJVQCGU-KRWDZBQOSA-N 1 0 304.459 2.608 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCOc3ccccc32)CC1 ZINC000159791125 285212089 /nfs/dbraw/zinc/21/20/89/285212089.db2.gz VDTDNFFRAQYEIU-MRXNPFEDSA-N 1 0 317.433 2.638 20 70 DFIDRO C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc(C[NH3+])o1 ZINC000159527396 542718127 /nfs/dbraw/zinc/71/81/27/542718127.db2.gz PEEVHHUDSDONHE-QFYYESIMSA-N 1 0 302.349 2.931 20 70 DFIDRO CC1(C)C[C@@H]([NH2+]CC2(CN3CCOCC3)CCCCC2)CCO1 ZINC000160592950 542723673 /nfs/dbraw/zinc/72/36/73/542723673.db2.gz RIUACAQGPFUDLG-KRWDZBQOSA-N 1 0 324.509 2.816 20 70 DFIDRO Cc1cnn(-c2ccc(NC(=O)CC3([NH3+])CCC3)cc2F)c1 ZINC000159779164 542719289 /nfs/dbraw/zinc/71/92/89/542719289.db2.gz HAUFGMRSJFINHZ-UHFFFAOYSA-N 1 0 302.353 2.530 20 70 DFIDRO Cc1nccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1Cl ZINC000159920812 542719920 /nfs/dbraw/zinc/71/99/20/542719920.db2.gz HPEGKXRNYSASDE-CMPLNLGQSA-N 1 0 308.813 2.744 20 70 DFIDRO CC[C@H]([NH2+]Cc1ccnn1CC)c1ccc2c(c1)OCCO2 ZINC000160097909 542720730 /nfs/dbraw/zinc/72/07/30/542720730.db2.gz DMJPLVBZRWORSA-HNNXBMFYSA-N 1 0 301.390 2.915 20 70 DFIDRO Cc1noc(C)c1C[C@@H](C)NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000160225768 542721619 /nfs/dbraw/zinc/72/16/19/542721619.db2.gz RDZIOFNWZIGOGQ-RFAUZJTJSA-N 1 0 321.808 2.692 20 70 DFIDRO CC(C)OCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000160210427 542721852 /nfs/dbraw/zinc/72/18/52/542721852.db2.gz HPMCVYXEHLADIY-LLVKDONJSA-N 1 0 322.232 2.748 20 70 DFIDRO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1(c2ccc(F)cc2)CCC1 ZINC000160518807 542722720 /nfs/dbraw/zinc/72/27/20/542722720.db2.gz LQYFXWIUAPLYLL-IYBDPMFKSA-N 1 0 302.393 2.600 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cnn(-c3ccccc3)c2C2CC2)C1 ZINC000161075967 542726986 /nfs/dbraw/zinc/72/69/86/542726986.db2.gz NXIBCDDMYWNKPL-CABCVRRESA-N 1 0 324.428 2.749 20 70 DFIDRO C[C@@]1(C(=O)NCCc2ccc(C(F)(F)F)cc2)CCC[NH2+]C1 ZINC000161301077 542728455 /nfs/dbraw/zinc/72/84/55/542728455.db2.gz ZVUWABBEPGOFGR-OAHLLOKOSA-N 1 0 314.351 2.754 20 70 DFIDRO Cc1ccccc1NC(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161347533 542728533 /nfs/dbraw/zinc/72/85/33/542728533.db2.gz ZYHRALRCKHKYPW-INIZCTEOSA-N 1 0 324.428 2.539 20 70 DFIDRO CC(C)Oc1ccc(CCNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000161353940 542728679 /nfs/dbraw/zinc/72/86/79/542728679.db2.gz ZPRNWNGGDHXYER-SFHVURJKSA-N 1 0 304.434 2.522 20 70 DFIDRO Cc1ccc2c(CC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)coc2c1C ZINC000161375575 542729418 /nfs/dbraw/zinc/72/94/18/542729418.db2.gz OCJUDIDFFGBGMT-LSDHHAIUSA-N 1 0 300.402 2.978 20 70 DFIDRO CO[C@H](CNC(=O)c1ccc(C[NH3+])o1)c1cccc(Cl)c1 ZINC000161410372 542729628 /nfs/dbraw/zinc/72/96/28/542729628.db2.gz IXIIEXZVVCTVNU-CQSZACIVSA-N 1 0 308.765 2.509 20 70 DFIDRO C[C@H](CSc1ccc(F)cc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160786623 542724155 /nfs/dbraw/zinc/72/41/55/542724155.db2.gz NSWBJNANHISWHN-XBFCOCLRSA-N 1 0 310.438 2.940 20 70 DFIDRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160790829 542724486 /nfs/dbraw/zinc/72/44/86/542724486.db2.gz XUGWJANUJURLAE-ABAIWWIYSA-N 1 0 310.825 2.678 20 70 DFIDRO Cc1cc(C)c(C)c(OCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000160823738 542724919 /nfs/dbraw/zinc/72/49/19/542724919.db2.gz DGRVEBAKRQHTFF-HZPDHXFCSA-N 1 0 304.434 2.767 20 70 DFIDRO COc1ccc2cc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c(C)nc2c1 ZINC000160909094 542725161 /nfs/dbraw/zinc/72/51/61/542725161.db2.gz SEAADBJDHTXVGB-KBPBESRZSA-N 1 0 313.401 2.552 20 70 DFIDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000160965517 542726036 /nfs/dbraw/zinc/72/60/36/542726036.db2.gz HDANQMWWHICPOV-NSHDSACASA-N 1 0 318.446 2.689 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2Oc2cccnc2)C1 ZINC000160999293 542726515 /nfs/dbraw/zinc/72/65/15/542726515.db2.gz XHCPYXOJTRQNHR-ZIAGYGMSSA-N 1 0 311.385 2.874 20 70 DFIDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(O)cc1Cl ZINC000159569876 145220128 /nfs/dbraw/zinc/22/01/28/145220128.db2.gz MVXJFAYXKVEDKE-CYBMUJFWSA-N 1 0 324.852 2.969 20 70 DFIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000160344502 145220927 /nfs/dbraw/zinc/22/09/27/145220927.db2.gz KDDVOEYRAXVNJK-DGCLKSJQSA-N 1 0 300.443 2.656 20 70 DFIDRO Cc1nc2ccccc2cc1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000218087647 146000651 /nfs/dbraw/zinc/00/06/51/146000651.db2.gz RMUVMIUBJHKOSJ-UHFFFAOYSA-N 1 0 311.429 2.957 20 70 DFIDRO Cc1cccc(CN2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)c1 ZINC000218751178 146000963 /nfs/dbraw/zinc/00/09/63/146000963.db2.gz WTAFKFKXXOXHBF-NRFANRHFSA-N 1 0 324.468 2.716 20 70 DFIDRO COc1ccc2nc(C(=O)NCC3([NH3+])CCCCC3)ccc2c1 ZINC000159592190 267530858 /nfs/dbraw/zinc/53/08/58/267530858.db2.gz DSTIQGONGSHQFA-UHFFFAOYSA-N 1 0 313.401 2.635 20 70 DFIDRO C[C@@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218178137 268139683 /nfs/dbraw/zinc/13/96/83/268139683.db2.gz UHUNFCVLXZSPMH-KGLIPLIRSA-N 1 0 322.453 2.545 20 70 DFIDRO C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249646 268139922 /nfs/dbraw/zinc/13/99/22/268139922.db2.gz SYXLBLCVAIJYRK-UONOGXRCSA-N 1 0 322.453 2.545 20 70 DFIDRO CN(Cc1ccc(Br)c2cccnc12)[C@H]1CC[NH2+]C1 ZINC000160381534 425980789 /nfs/dbraw/zinc/98/07/89/425980789.db2.gz MAGAMTDXQFECNE-LBPRGKRZSA-N 1 0 320.234 2.791 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(OC(F)F)c1)CC2 ZINC000160420061 425981873 /nfs/dbraw/zinc/98/18/73/425981873.db2.gz NVUXVCRGEYBJOO-MFKMUULPSA-N 1 0 322.359 2.854 20 70 DFIDRO Cc1ncc(/C=C/C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC000160466402 425983658 /nfs/dbraw/zinc/98/36/58/425983658.db2.gz JENUISIGCMWTPN-PSKZRQQASA-N 1 0 307.463 2.701 20 70 DFIDRO COc1cccc(Cl)c1CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000160495900 425984086 /nfs/dbraw/zinc/98/40/86/425984086.db2.gz GOLSPBSNPWKRDB-STQMWFEESA-N 1 0 324.852 2.880 20 70 DFIDRO CCC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(OC)cc1 ZINC000160531904 425986461 /nfs/dbraw/zinc/98/64/61/425986461.db2.gz JNOQOYODXGCOMT-ZDUSSCGKSA-N 1 0 318.339 2.805 20 70 DFIDRO CC1CC[NH+](CCNC(=O)c2c(F)cc(F)cc2F)CC1 ZINC000160549610 425986679 /nfs/dbraw/zinc/98/66/79/425986679.db2.gz OQFUKIQRTLSHIS-UHFFFAOYSA-N 1 0 300.324 2.566 20 70 DFIDRO O=C(c1cc(F)c(F)cc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160565430 425987706 /nfs/dbraw/zinc/98/77/06/425987706.db2.gz UCGKFEYQPLWSBL-DTORHVGOSA-N 1 0 300.736 2.585 20 70 DFIDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(F)c1 ZINC000160580806 425988792 /nfs/dbraw/zinc/98/87/92/425988792.db2.gz OPMLUXIZKRSFRM-CJNGLKHVSA-N 1 0 308.353 2.861 20 70 DFIDRO CCCC[C@H](COC)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160609382 425989729 /nfs/dbraw/zinc/98/97/29/425989729.db2.gz BFYYMYIVXGDABM-LJQANCHMSA-N 1 0 320.477 2.814 20 70 DFIDRO COc1cccc(Cl)c1CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000160644795 425990579 /nfs/dbraw/zinc/99/05/79/425990579.db2.gz QZVYVLUBBCOEJN-WFASDCNBSA-N 1 0 324.852 2.736 20 70 DFIDRO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000160653488 425990740 /nfs/dbraw/zinc/99/07/40/425990740.db2.gz FYZJVZJNJOXUEK-QGZVFWFLSA-N 1 0 309.475 2.907 20 70 DFIDRO CC[C@H](Sc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160637032 425991252 /nfs/dbraw/zinc/99/12/52/425991252.db2.gz WWVDKVNGLCDRRY-LZWOXQAQSA-N 1 0 304.459 2.910 20 70 DFIDRO CC[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)[C@H]1CCOC1 ZINC000160753732 425994191 /nfs/dbraw/zinc/99/41/91/425994191.db2.gz QSXWRIYRVARVPF-KSZLIROESA-N 1 0 316.445 2.755 20 70 DFIDRO CC[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CCOC1 ZINC000160753479 425994559 /nfs/dbraw/zinc/99/45/59/425994559.db2.gz QSXWRIYRVARVPF-KURKYZTESA-N 1 0 316.445 2.755 20 70 DFIDRO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160832784 425997862 /nfs/dbraw/zinc/99/78/62/425997862.db2.gz HJZFJJVPRZGKBZ-CABCVRRESA-N 1 0 314.433 2.684 20 70 DFIDRO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160930272 426001502 /nfs/dbraw/zinc/00/15/02/426001502.db2.gz NWGYDUNJCDLYRP-VXIBKDFQSA-N 1 0 322.493 2.793 20 70 DFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1ccccn1 ZINC000160926715 426002102 /nfs/dbraw/zinc/00/21/02/426002102.db2.gz RNTNOWHGVIICHR-KRWDZBQOSA-N 1 0 318.465 2.734 20 70 DFIDRO CCOCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160988335 426004414 /nfs/dbraw/zinc/00/44/14/426004414.db2.gz GGDCRMMISVIAKX-ZIAGYGMSSA-N 1 0 303.324 2.850 20 70 DFIDRO C[C@H](CC(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F)C1CC[NH2+]CC1 ZINC000159383714 425958950 /nfs/dbraw/zinc/95/89/50/425958950.db2.gz DFVYBIGKPNWQAX-FFSVYQOJSA-N 1 0 322.399 2.963 20 70 DFIDRO COCCN(C)CC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000159388930 425959118 /nfs/dbraw/zinc/95/91/18/425959118.db2.gz GQULCECHULEHIU-INIZCTEOSA-N 1 0 304.434 2.601 20 70 DFIDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccn1 ZINC000159381090 425959347 /nfs/dbraw/zinc/95/93/47/425959347.db2.gz QAMKHPJSIBQMIF-GDBMZVCRSA-N 1 0 301.434 2.913 20 70 DFIDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)CCN1C ZINC000159452257 425960561 /nfs/dbraw/zinc/96/05/61/425960561.db2.gz KUKFUTDGTCJSNS-KBAYOESNSA-N 1 0 312.461 2.599 20 70 DFIDRO c1cc2c(cc1C[NH2+][C@H]1[C@@H]3CCO[C@@H]3C13CCC3)OCCO2 ZINC000159509647 425961394 /nfs/dbraw/zinc/96/13/94/425961394.db2.gz SBTIORYBPKCYHH-JQFCIGGWSA-N 1 0 301.386 2.505 20 70 DFIDRO O=C1CCCN1CCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000159490609 425961571 /nfs/dbraw/zinc/96/15/71/425961571.db2.gz XRDDINZFWXYVMZ-OAHLLOKOSA-N 1 0 306.381 2.642 20 70 DFIDRO Cc1ccc(NC(=O)C2CC[NH+](CCCOC(C)C)CC2)nc1 ZINC000159525089 425961823 /nfs/dbraw/zinc/96/18/23/425961823.db2.gz BWBBXAHLOCLZNN-UHFFFAOYSA-N 1 0 319.449 2.856 20 70 DFIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000159499040 425962178 /nfs/dbraw/zinc/96/21/78/425962178.db2.gz CFKNETXCCHXZBR-JGVFFNPUSA-N 1 0 320.277 2.703 20 70 DFIDRO Cc1cnn(-c2ccc(C(=O)NCC3([NH3+])CCCCC3)cc2)c1 ZINC000159531034 425962184 /nfs/dbraw/zinc/96/21/84/425962184.db2.gz QVKLITUDVIQECR-UHFFFAOYSA-N 1 0 312.417 2.572 20 70 DFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000159595440 425962998 /nfs/dbraw/zinc/96/29/98/425962998.db2.gz ZDDDSKHOCMXLEW-QWRGUYRKSA-N 1 0 321.471 2.957 20 70 DFIDRO Cc1cc(C(=O)NCC[NH2+]C2CCCCCC2)ccc1[N+](=O)[O-] ZINC000159674376 425965248 /nfs/dbraw/zinc/96/52/48/425965248.db2.gz QWXOGFQMELDOFW-UHFFFAOYSA-N 1 0 319.405 2.945 20 70 DFIDRO CSc1ccc(O[C@@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159684370 425965507 /nfs/dbraw/zinc/96/55/07/425965507.db2.gz JAWVDNFNYSEXDM-MELADBBJSA-N 1 0 320.458 2.529 20 70 DFIDRO O=C(c1csc(C2CC2)n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159760068 425966701 /nfs/dbraw/zinc/96/67/01/425966701.db2.gz KFDHJCRGRJEYPG-UHFFFAOYSA-N 1 0 305.447 2.625 20 70 DFIDRO C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc(O)c1 ZINC000159750741 425966908 /nfs/dbraw/zinc/96/69/08/425966908.db2.gz OFSWVAANRQMDTD-VQCLRJIVSA-N 1 0 319.449 2.873 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCc2c(C)cc(C)cc2C)CC1 ZINC000159778650 425967710 /nfs/dbraw/zinc/96/77/10/425967710.db2.gz WOEQNYPCUZGTGS-UHFFFAOYSA-N 1 0 303.450 2.849 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000159870899 425968421 /nfs/dbraw/zinc/96/84/21/425968421.db2.gz KXVUEJACSYBHTE-WFASDCNBSA-N 1 0 323.387 2.558 20 70 DFIDRO Cc1ccc(-c2ncc(C[NH+]3CCC(CC(N)=O)CC3)s2)o1 ZINC000159834249 425969422 /nfs/dbraw/zinc/96/94/22/425969422.db2.gz XDCXXMDRCWXSMC-UHFFFAOYSA-N 1 0 319.430 2.799 20 70 DFIDRO C[N@H+](CC#Cc1ccc(F)cc1)C[C@H]1CCCN1c1cccnn1 ZINC000159895798 425969949 /nfs/dbraw/zinc/96/99/49/425969949.db2.gz PSJXOUNCJLDQCS-GOSISDBHSA-N 1 0 324.403 2.568 20 70 DFIDRO CC[C@@H](CC(=O)NC[C@@H]1CC[N@H+](C)C1)c1ccc(OC)cc1 ZINC000160108183 425973732 /nfs/dbraw/zinc/97/37/32/425973732.db2.gz RYYILIZDGQRPHN-GJZGRUSLSA-N 1 0 304.434 2.647 20 70 DFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1coc(-c2ccccc2)n1 ZINC000160071124 425974188 /nfs/dbraw/zinc/97/41/88/425974188.db2.gz ZGBKYRSWPRBAHW-ZDUSSCGKSA-N 1 0 301.390 2.802 20 70 DFIDRO Cc1noc(C)c1[C@H](C)CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000160090759 425974557 /nfs/dbraw/zinc/97/45/57/425974557.db2.gz KTGZCCUBYUBSQD-DAXOMENPSA-N 1 0 319.449 2.728 20 70 DFIDRO CC(C)([NH3+])CNC(=O)c1ccc(Sc2ccccn2)cc1 ZINC000160117832 425975146 /nfs/dbraw/zinc/97/51/46/425975146.db2.gz JWYCKYGGYNDTBO-UHFFFAOYSA-N 1 0 301.415 2.700 20 70 DFIDRO COc1cc(C)c([C@H](C)[NH2+][C@H](CCO)CSC)cc1OC ZINC000160187882 425976435 /nfs/dbraw/zinc/97/64/35/425976435.db2.gz SFXUMBVWYUKSMZ-QWHCGFSZSA-N 1 0 313.463 2.777 20 70 DFIDRO C[N@H+](CCC1CCCCC1)CCN1C(=O)NC2(CCCC2)C1=O ZINC000160193627 425976910 /nfs/dbraw/zinc/97/69/10/425976910.db2.gz JLKFCRLUVCXJOC-UHFFFAOYSA-N 1 0 321.465 2.753 20 70 DFIDRO CC[C@H]([NH2+][C@@H](CCO)CSC)c1ccc(OC)c(OC)c1 ZINC000160243475 425977969 /nfs/dbraw/zinc/97/79/69/425977969.db2.gz KHWHIOOTMKFVGU-KBPBESRZSA-N 1 0 313.463 2.859 20 70 DFIDRO CC1(C)CCC(=CC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000160251320 425978243 /nfs/dbraw/zinc/97/82/43/425978243.db2.gz DSACDLOPTWEUBB-UHFFFAOYSA-N 1 0 320.477 2.836 20 70 DFIDRO COc1cccc(CCC[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000160328577 425978873 /nfs/dbraw/zinc/97/88/73/425978873.db2.gz DHYAXRFSEOBLDP-INIZCTEOSA-N 1 0 304.434 2.605 20 70 DFIDRO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160349553 425979070 /nfs/dbraw/zinc/97/90/70/425979070.db2.gz WLPLXZFEGZBXPH-YUELXQCFSA-N 1 0 322.836 2.769 20 70 DFIDRO CC[C@H](C(=O)N1CCO[C@@H](c2ccc(C)cc2C)C1)[NH+](C)C ZINC000161385617 426022495 /nfs/dbraw/zinc/02/24/95/426022495.db2.gz NOXCEBVPYMWVIP-IAGOWNOFSA-N 1 0 304.434 2.544 20 70 DFIDRO CCn1cnnc1[C@H]1CCC[N@H+](CCOc2ccccc2C)C1 ZINC000161424867 426023476 /nfs/dbraw/zinc/02/34/76/426023476.db2.gz PFQMIAUDATYPHI-INIZCTEOSA-N 1 0 314.433 2.865 20 70 DFIDRO CN(CCC[NH+]1CCCCC1)Cc1nc2ccccc2n1C ZINC000161438101 426023834 /nfs/dbraw/zinc/02/38/34/426023834.db2.gz BLHMFZBLQWBWOX-UHFFFAOYSA-N 1 0 300.450 2.881 20 70 DFIDRO Fc1ccc(OCC[NH2+]C2CCC3(CC2)OCCO3)cc1F ZINC000161451313 426024715 /nfs/dbraw/zinc/02/47/15/426024715.db2.gz UXTYUPCRJYSVHH-UHFFFAOYSA-N 1 0 313.344 2.619 20 70 DFIDRO CCCn1nc(C)c(C(=O)NC2CC[NH+](CCC)CC2)c1C ZINC000161509266 426027474 /nfs/dbraw/zinc/02/74/74/426027474.db2.gz DTYOTKFPBWRICC-UHFFFAOYSA-N 1 0 306.454 2.514 20 70 DFIDRO CC[C@@H]1CC[N@H+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)C1 ZINC000161509868 426027792 /nfs/dbraw/zinc/02/77/92/426027792.db2.gz WJWZMYKKRGFZTE-GFCCVEGCSA-N 1 0 314.385 2.869 20 70 DFIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)CC3CCC3)c2c1 ZINC000161063004 426007661 /nfs/dbraw/zinc/00/76/61/426007661.db2.gz MWWHIIJACHLNGH-UHFFFAOYSA-N 1 0 314.385 2.869 20 70 DFIDRO CCc1c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)[nH]c(C)c1C(C)=O ZINC000161113371 426008729 /nfs/dbraw/zinc/00/87/29/426008729.db2.gz USQODKFGOGWTJP-XHDPSFHLSA-N 1 0 319.449 2.547 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000161095135 426008739 /nfs/dbraw/zinc/00/87/39/426008739.db2.gz OSLGNEUCTZPYKV-HOTGVXAUSA-N 1 0 322.399 2.916 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000161108493 426008981 /nfs/dbraw/zinc/00/89/81/426008981.db2.gz FWBZNVQDWDNUCM-HUUCEWRRSA-N 1 0 322.399 2.916 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000161150447 426009550 /nfs/dbraw/zinc/00/95/50/426009550.db2.gz CNKCZUBTFACNBY-PELKAZGASA-N 1 0 304.818 2.737 20 70 DFIDRO COCCC1(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCC1 ZINC000161123623 426010312 /nfs/dbraw/zinc/01/03/12/426010312.db2.gz XJONESMRVLZSKH-HNNXBMFYSA-N 1 0 323.481 2.509 20 70 DFIDRO CC1=C(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCCO1 ZINC000161168717 426011599 /nfs/dbraw/zinc/01/15/99/426011599.db2.gz ULIQOQCDOAVIEY-UHFFFAOYSA-N 1 0 314.429 2.805 20 70 DFIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc3c(cccc3F)[nH]2)C1 ZINC000161163491 426011619 /nfs/dbraw/zinc/01/16/19/426011619.db2.gz KLCTUQYSMODFOW-BZNIZROVSA-N 1 0 303.381 2.766 20 70 DFIDRO CC(C)c1ncc(Cl)c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)n1 ZINC000161184298 426012159 /nfs/dbraw/zinc/01/21/59/426012159.db2.gz AMDGLPDZQSIACO-AAEUAGOBSA-N 1 0 324.856 2.712 20 70 DFIDRO CCC[N@H+](CCO)Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000161193631 426012201 /nfs/dbraw/zinc/01/22/01/426012201.db2.gz GPRKWIFVPDUQCV-UHFFFAOYSA-N 1 0 301.814 2.952 20 70 DFIDRO C[C@H]1SCCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H]1c1ccccc1 ZINC000161184059 426012352 /nfs/dbraw/zinc/01/23/52/426012352.db2.gz PUSZWFNUXVJLNL-FVQBIDKESA-N 1 0 304.459 2.691 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000161181842 426012660 /nfs/dbraw/zinc/01/26/60/426012660.db2.gz BCSQBCRDADIXBY-LBPRGKRZSA-N 1 0 317.433 2.514 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000161233147 426013847 /nfs/dbraw/zinc/01/38/47/426013847.db2.gz ZHNKPCLZHJZBEH-INIZCTEOSA-N 1 0 320.477 2.899 20 70 DFIDRO CCN1CCCC[C@@H]1C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000161212851 426014146 /nfs/dbraw/zinc/01/41/46/426014146.db2.gz QXDYVOXRZVDLKP-LJQANCHMSA-N 1 0 316.493 2.510 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000161240347 426014600 /nfs/dbraw/zinc/01/46/00/426014600.db2.gz QQBZGZXOTUUDHM-HNNXBMFYSA-N 1 0 306.406 2.558 20 70 DFIDRO CC[C@](C)(O)C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000161238444 426014737 /nfs/dbraw/zinc/01/47/37/426014737.db2.gz HUDXCTDMKHBSFF-ZDUSSCGKSA-N 1 0 305.344 2.769 20 70 DFIDRO CCC[C@@H](C(=O)NCCCn1ccc2ccccc21)[NH+](C)C ZINC000161253127 426015201 /nfs/dbraw/zinc/01/52/01/426015201.db2.gz VVSCOJOEZFBCFM-KRWDZBQOSA-N 1 0 301.434 2.878 20 70 DFIDRO CCc1ccc(/C=C/C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000161265896 426015951 /nfs/dbraw/zinc/01/59/51/426015951.db2.gz YEHOHCQSWVKLDF-OMAIJTBJSA-N 1 0 302.418 2.798 20 70 DFIDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000161296686 426016985 /nfs/dbraw/zinc/01/69/85/426016985.db2.gz CIXJANLMZOGTKY-UHFFFAOYSA-N 1 0 319.405 2.898 20 70 DFIDRO N#Cc1ccccc1N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161313025 426018395 /nfs/dbraw/zinc/01/83/95/426018395.db2.gz CUWWHPPBTYIAFB-UHFFFAOYSA-N 1 0 312.461 2.556 20 70 DFIDRO CCC[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[NH+](C)C ZINC000161303848 426018999 /nfs/dbraw/zinc/01/89/99/426018999.db2.gz USSKNEKVXPADHA-GJZGRUSLSA-N 1 0 323.506 2.732 20 70 DFIDRO CCC[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[NH+](C)C ZINC000161303946 426019130 /nfs/dbraw/zinc/01/91/30/426019130.db2.gz USSKNEKVXPADHA-CABCVRRESA-N 1 0 323.506 2.732 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000161360413 426020682 /nfs/dbraw/zinc/02/06/82/426020682.db2.gz FNDAMJXWLOIIOT-CYBMUJFWSA-N 1 0 319.792 2.819 20 70 DFIDRO C[C@H](CC(N)=O)[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000161355505 426021016 /nfs/dbraw/zinc/02/10/16/426021016.db2.gz XKXAUWPOZYHXNO-HTQZYQBOSA-N 1 0 303.175 2.503 20 70 DFIDRO CCCn1c(C[NH2+]C[C@@](C)(O)CSC)nc2ccccc21 ZINC000217855307 426565322 /nfs/dbraw/zinc/56/53/22/426565322.db2.gz LMMXSXDKJKNERY-MRXNPFEDSA-N 1 0 307.463 2.650 20 70 DFIDRO Cc1c2cc(Br)ccc2oc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160209389 271079701 /nfs/dbraw/zinc/07/97/01/271079701.db2.gz VQQIYAVGKCDFIP-SNVBAGLBSA-N 1 0 323.190 2.677 20 70 DFIDRO Clc1cnc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000159683213 274884954 /nfs/dbraw/zinc/88/49/54/274884954.db2.gz CUAOIPSOCIKSNC-ZJUUUORDSA-N 1 0 316.630 2.828 20 70 DFIDRO CCN(c1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1)C(C)C ZINC000160109114 276145222 /nfs/dbraw/zinc/14/52/22/276145222.db2.gz JHFWLPXYUXXATD-GOSISDBHSA-N 1 0 317.477 2.991 20 70 DFIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(OC)cc1 ZINC000160420423 276593213 /nfs/dbraw/zinc/59/32/13/276593213.db2.gz INYSOBHKOIMWNU-HOCLYGCPSA-N 1 0 300.406 2.651 20 70 DFIDRO CN1CCC([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000161469786 277030908 /nfs/dbraw/zinc/03/09/08/277030908.db2.gz OOHJKMFSHQSJRU-UHFFFAOYSA-N 1 0 307.869 2.993 20 70 DFIDRO COC1(C(=O)N2CC3(CCCC3)c3ccccc32)CC[NH2+]CC1 ZINC000159369817 277179203 /nfs/dbraw/zinc/17/92/03/277179203.db2.gz NWDAGPNSRASWHL-UHFFFAOYSA-N 1 0 314.429 2.614 20 70 DFIDRO C[C@@H](C[NH2+][C@@H]1CCCc2c1cnn2C)N1CCc2ccccc2C1 ZINC000159836976 278285013 /nfs/dbraw/zinc/28/50/13/278285013.db2.gz CJWCPCPQENKLDE-HNAYVOBHSA-N 1 0 324.472 2.834 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCOc3cc(C)ccc31)CC2 ZINC000160366127 279144370 /nfs/dbraw/zinc/14/43/70/279144370.db2.gz HIOLCVXBAAEENW-ZBFHGGJFSA-N 1 0 312.417 2.713 20 70 DFIDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160907858 279267473 /nfs/dbraw/zinc/26/74/73/279267473.db2.gz OFKACWHPSPXKBL-HZPDHXFCSA-N 1 0 308.466 2.859 20 70 DFIDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1C ZINC000159437385 295376860 /nfs/dbraw/zinc/37/68/60/295376860.db2.gz BOGCXFRZGFHWSE-KRWDZBQOSA-N 1 0 324.490 2.597 20 70 DFIDRO Cc1ccc(C[C@@H](C)N(C)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000159445503 295377044 /nfs/dbraw/zinc/37/70/44/295377044.db2.gz VFFMHXUKLOXPCH-SJLPKXTDSA-N 1 0 317.477 2.909 20 70 DFIDRO CCC[C@@H](C(=O)NC[C@@H](Nc1ccccc1)C(C)C)[NH+](C)C ZINC000159562533 295378195 /nfs/dbraw/zinc/37/81/95/295378195.db2.gz MKNWJVMCCYYGDI-SJORKVTESA-N 1 0 305.466 2.970 20 70 DFIDRO CC(C)c1ccc(CN2CC[NH+](CCn3ccnc3)CC2)cc1 ZINC000159548632 295378267 /nfs/dbraw/zinc/37/82/67/295378267.db2.gz XTNDJJDCYOVRBL-UHFFFAOYSA-N 1 0 312.461 2.824 20 70 DFIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000159612992 295379129 /nfs/dbraw/zinc/37/91/29/295379129.db2.gz OODZMNFODJBJCK-STQMWFEESA-N 1 0 322.453 2.569 20 70 DFIDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C1CCC(C)(C)CC1 ZINC000159617678 295379164 /nfs/dbraw/zinc/37/91/64/295379164.db2.gz SMRLYWJXGJKBQO-INIZCTEOSA-N 1 0 310.482 2.772 20 70 DFIDRO CCCCn1ncc(NC(=O)NCC[N@H+](C)C2CCCC2)c1C ZINC000159674269 295380377 /nfs/dbraw/zinc/38/03/77/295380377.db2.gz IFWUNAZUMNCYER-UHFFFAOYSA-N 1 0 321.469 2.988 20 70 DFIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCc2cccc(F)c2C1 ZINC000159735182 295381215 /nfs/dbraw/zinc/38/12/15/295381215.db2.gz QWQSFBOHXOXWHT-HNNXBMFYSA-N 1 0 321.440 2.870 20 70 DFIDRO COCCN(Cc1ccco1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000159882880 295383136 /nfs/dbraw/zinc/38/31/36/295383136.db2.gz QEQLJCJBAGKVID-UHFFFAOYSA-N 1 0 316.401 2.630 20 70 DFIDRO C[C@H](C[NH2+]C1CCN(CC(F)F)CC1)N1CCc2ccccc21 ZINC000159921399 295383379 /nfs/dbraw/zinc/38/33/79/295383379.db2.gz IPIAMAUBUUUZAO-CQSZACIVSA-N 1 0 323.431 2.757 20 70 DFIDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000159956892 295384450 /nfs/dbraw/zinc/38/44/50/295384450.db2.gz ACFPNZXZUXGWNM-UONOGXRCSA-N 1 0 312.454 2.933 20 70 DFIDRO C[NH+]1CCC(Oc2ccc(NCc3cscn3)cn2)CC1 ZINC000160172155 295387433 /nfs/dbraw/zinc/38/74/33/295387433.db2.gz KGYQKXVIECWNGT-UHFFFAOYSA-N 1 0 304.419 2.623 20 70 DFIDRO CCCCn1ncc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C ZINC000160188282 295387754 /nfs/dbraw/zinc/38/77/54/295387754.db2.gz XEAKJBSJAREBCC-XJKSGUPXSA-N 1 0 321.469 2.842 20 70 DFIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)[C@@H](C)C3CC3)c2c1 ZINC000160452433 295391509 /nfs/dbraw/zinc/39/15/09/295391509.db2.gz QSUJCWUWQXCZRF-NSHDSACASA-N 1 0 314.385 2.868 20 70 DFIDRO CCc1noc(CC)c1CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160574787 295393166 /nfs/dbraw/zinc/39/31/66/295393166.db2.gz HZGSSSKJWDGJFA-CQSZACIVSA-N 1 0 321.465 2.579 20 70 DFIDRO Cc1c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cccc1[N+](=O)[O-] ZINC000160606313 295393506 /nfs/dbraw/zinc/39/35/06/295393506.db2.gz NWBJTHBVPJNWSA-CQSZACIVSA-N 1 0 319.405 2.753 20 70 DFIDRO CC[C@H]([NH2+]Cc1cn(C)nc1C)c1ccc2c(c1)OCCO2 ZINC000160677920 295394660 /nfs/dbraw/zinc/39/46/60/295394660.db2.gz TWFGSHCJLOAIPV-HNNXBMFYSA-N 1 0 301.390 2.741 20 70 DFIDRO Cc1nn(C)cc1C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000161035132 295397738 /nfs/dbraw/zinc/39/77/38/295397738.db2.gz XSTWJCIDQFKZSA-CYBMUJFWSA-N 1 0 312.417 2.706 20 70 DFIDRO CC[C@H](NC(=O)NCCC[NH+](CC)CC)c1c(C)noc1C ZINC000161134557 295398828 /nfs/dbraw/zinc/39/88/28/295398828.db2.gz SANWGOFSGQKIFA-AWEZNQCLSA-N 1 0 310.442 2.774 20 70 DFIDRO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ncn1 ZINC000161313176 295401359 /nfs/dbraw/zinc/40/13/59/295401359.db2.gz SGSQJALZKANRRA-UHFFFAOYSA-N 1 0 324.428 2.701 20 70 DFIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000161418434 295402561 /nfs/dbraw/zinc/40/25/61/295402561.db2.gz BHDCLXHUNXEYKV-RDJZCZTQSA-N 1 0 304.434 2.870 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCOc3cc(C)ccc31)CC2 ZINC000160366382 302682054 /nfs/dbraw/zinc/68/20/54/302682054.db2.gz HIOLCVXBAAEENW-HOCLYGCPSA-N 1 0 312.417 2.713 20 70 DFIDRO C[NH+]=C(NCc1cccs1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000160074613 332870861 /nfs/dbraw/zinc/87/08/61/332870861.db2.gz LPNVLAHATQPYKI-ZFWWWQNUSA-N 1 0 317.462 2.603 20 70 DFIDRO CCC[N@@H+]1CCCN(C(=O)c2coc(Br)c2)CC1 ZINC000160394715 519851689 /nfs/dbraw/zinc/85/16/89/519851689.db2.gz IYGALXWFGCQSGR-UHFFFAOYSA-N 1 0 315.211 2.600 20 70 DFIDRO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000160902990 519807236 /nfs/dbraw/zinc/80/72/36/519807236.db2.gz UMXUHXAOTDIOMM-LESCRADOSA-N 1 0 314.433 2.979 20 70 DFIDRO CC(C)c1noc(CCC(=O)NCC[NH2+]C2CCCCCC2)n1 ZINC000159663144 519900369 /nfs/dbraw/zinc/90/03/69/519900369.db2.gz IEDICEAFCCBBDO-UHFFFAOYSA-N 1 0 322.453 2.554 20 70 DFIDRO CCCCOCCC[NH2+]Cc1c(Br)c(C)nn1C ZINC000160281932 520758060 /nfs/dbraw/zinc/75/80/60/520758060.db2.gz FZYYATLPORFXSC-UHFFFAOYSA-N 1 0 318.259 2.787 20 70 DFIDRO CCSCC[C@@H](C)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000160908710 521712055 /nfs/dbraw/zinc/71/20/55/521712055.db2.gz LSKXXJRRNBBEMT-OAHLLOKOSA-N 1 0 320.502 2.956 20 70 DFIDRO CC[C@@H](COC)[NH2+]C1CCN(c2cc(OC)cc(OC)c2)CC1 ZINC000160992695 522592714 /nfs/dbraw/zinc/59/27/14/522592714.db2.gz JNNJFZKXJHHIJR-AWEZNQCLSA-N 1 0 322.449 2.687 20 70 DFIDRO COc1cc(O)c(C[N@@H+]2CCOC3(CCCC3)C2)cc1OC ZINC000160433621 522776545 /nfs/dbraw/zinc/77/65/45/522776545.db2.gz BKJVRPWPHJOLDS-UHFFFAOYSA-N 1 0 307.390 2.554 20 70 DFIDRO CS[C@H]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)C1 ZINC000160284498 525903549 /nfs/dbraw/zinc/90/35/49/525903549.db2.gz FSBOECKEGQHLCZ-ILXRZTDVSA-N 1 0 313.511 2.642 20 70 DFIDRO Cn1cc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000160449709 527177176 /nfs/dbraw/zinc/17/71/76/527177176.db2.gz HXTRPGFRWLQXIC-UHFFFAOYSA-N 1 0 300.362 2.708 20 70 DFIDRO Cn1cc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000160445567 527177323 /nfs/dbraw/zinc/17/73/23/527177323.db2.gz YCMIRLTXZLLHGI-UHFFFAOYSA-N 1 0 300.362 2.708 20 70 DFIDRO CCOCCC[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000159565907 535515467 /nfs/dbraw/zinc/51/54/67/535515467.db2.gz CPMRTPXNMQDHAZ-UHFFFAOYSA-N 1 0 311.470 2.509 20 70 DFIDRO COc1cc(C)c(CN(C)C(=O)[C@H](C(C)C)[NH+](C)C)cc1OC ZINC000159543179 186125933 /nfs/dbraw/zinc/12/59/33/186125933.db2.gz ISRBDMYDSHQRNE-KRWDZBQOSA-N 1 0 322.449 2.557 20 70 DFIDRO C[C@@H](CSCc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000159544463 186126392 /nfs/dbraw/zinc/12/63/92/186126392.db2.gz GGCKBQYPMLOZOM-HOCLYGCPSA-N 1 0 306.475 2.624 20 70 DFIDRO COCCOc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159574061 186128076 /nfs/dbraw/zinc/12/80/76/186128076.db2.gz ZNKVFLFUSNNCSA-BZSNNMDCSA-N 1 0 317.429 2.759 20 70 DFIDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000159581281 186128707 /nfs/dbraw/zinc/12/87/07/186128707.db2.gz WUAKACPKTCNVSD-MRXNPFEDSA-N 1 0 304.438 2.530 20 70 DFIDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000159692473 186135860 /nfs/dbraw/zinc/13/58/60/186135860.db2.gz BINISKQESSZWHQ-INIZCTEOSA-N 1 0 313.357 2.594 20 70 DFIDRO C=CCOc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1OC ZINC000159700076 186136540 /nfs/dbraw/zinc/13/65/40/186136540.db2.gz XYNTXRCAUAAPPQ-UHFFFAOYSA-N 1 0 318.417 2.651 20 70 DFIDRO O=C(CCC(=O)N1CCC([NH2+]CC2CC2)CC1)c1cccs1 ZINC000159733486 186138124 /nfs/dbraw/zinc/13/81/24/186138124.db2.gz RLRLCNRNDUTWKZ-UHFFFAOYSA-N 1 0 320.458 2.702 20 70 DFIDRO Cc1ccc([C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159750366 186139266 /nfs/dbraw/zinc/13/92/66/186139266.db2.gz UOEVXRUXWXPDBH-AWEZNQCLSA-N 1 0 315.373 2.758 20 70 DFIDRO C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000159494626 398964994 /nfs/dbraw/zinc/96/49/94/398964994.db2.gz KCCBBIYFNSMMES-BBRMVZONSA-N 1 0 304.409 2.605 20 70 DFIDRO CCN(C(=O)NCCSC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159946013 398967946 /nfs/dbraw/zinc/96/79/46/398967946.db2.gz UBQNFDCWOPVSDX-MRXNPFEDSA-N 1 0 321.490 2.655 20 70 DFIDRO CS[C@@H](C)CNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000160224900 398969212 /nfs/dbraw/zinc/96/92/12/398969212.db2.gz VTQXNPFLGZXZNI-AWEZNQCLSA-N 1 0 323.506 2.948 20 70 DFIDRO CC(C)(NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(F)c1 ZINC000160663545 398971667 /nfs/dbraw/zinc/97/16/67/398971667.db2.gz HKCWQXUMTSIBNY-INIZCTEOSA-N 1 0 319.424 2.844 20 70 DFIDRO CC(C)(C)NC(=O)c1cccc(NC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000161348310 197487812 /nfs/dbraw/zinc/48/78/12/197487812.db2.gz VPKPVFURWYJSRE-GOSISDBHSA-N 1 0 317.433 2.543 20 70 DFIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/SCc2ccco2)C1 ZINC000161374874 197489372 /nfs/dbraw/zinc/48/93/72/197489372.db2.gz YLCNFQSMPOSRLZ-BZDCKHMYSA-N 1 0 308.447 2.871 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000161250454 197478180 /nfs/dbraw/zinc/47/81/80/197478180.db2.gz PAVMKAKBDAFOFF-OCCSQVGLSA-N 1 0 310.463 2.802 20 70 DFIDRO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)C(=O)NCc1ccccc1 ZINC000161208458 197474137 /nfs/dbraw/zinc/47/41/37/197474137.db2.gz STCZMVCWWOQMTG-CHWSQXEVSA-N 1 0 301.365 2.576 20 70 DFIDRO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000160903289 197448556 /nfs/dbraw/zinc/44/85/56/197448556.db2.gz BAVMPFJMKHDKAX-MNEFBYGVSA-N 1 0 308.425 2.961 20 70 DFIDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160554832 197421670 /nfs/dbraw/zinc/42/16/70/197421670.db2.gz DKYKXHQJLWACMU-WFASDCNBSA-N 1 0 300.406 2.651 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)C1(c2ccc(C)cc2)CCOCC1 ZINC000160462920 197413396 /nfs/dbraw/zinc/41/33/96/197413396.db2.gz NRNRJKMQRMMFHV-UHFFFAOYSA-N 1 0 318.461 2.677 20 70 DFIDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)/C=C/c1ccc(Cl)nc1 ZINC000160251317 197396016 /nfs/dbraw/zinc/39/60/16/197396016.db2.gz XEBAZRFIKXZFPE-IZPAUZPXSA-N 1 0 309.841 2.841 20 70 DFIDRO CC1=C(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCO1 ZINC000160232286 197394068 /nfs/dbraw/zinc/39/40/68/197394068.db2.gz OTXDTPGNTFQARC-UHFFFAOYSA-N 1 0 314.429 2.983 20 70 DFIDRO Cc1cccc(C)c1CCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000160209704 197393012 /nfs/dbraw/zinc/39/30/12/197393012.db2.gz NIJICMNNVCFERP-LJQANCHMSA-N 1 0 308.425 2.677 20 70 DFIDRO CCCCn1ncc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1C ZINC000160161946 197389830 /nfs/dbraw/zinc/38/98/30/197389830.db2.gz CAGOZPGNKXPPKL-OAHLLOKOSA-N 1 0 321.469 2.797 20 70 DFIDRO CCCOc1c(Cl)cc(C(=O)NCCC[NH3+])cc1OCC ZINC000160043851 197382181 /nfs/dbraw/zinc/38/21/81/197382181.db2.gz PWISBBIVGOZWGE-UHFFFAOYSA-N 1 0 314.813 2.606 20 70 DFIDRO NC(=O)N1CCC([NH2+]CCSc2ccc(Cl)cc2)CC1 ZINC000160048822 197382188 /nfs/dbraw/zinc/38/21/88/197382188.db2.gz QDQGGWANPSEARF-UHFFFAOYSA-N 1 0 313.854 2.565 20 70 DFIDRO Cc1ccc(OCc2ccc(C(=O)NCCC[NH3+])o2)c(C)c1 ZINC000160145040 197389020 /nfs/dbraw/zinc/38/90/20/197389020.db2.gz CHMRMYRIPYQLNB-UHFFFAOYSA-N 1 0 302.374 2.554 20 70 DFIDRO CN(CC[NH2+][C@@H]1CCCc2c1cnn2C)Cc1ccc(F)cc1 ZINC000160146117 197388861 /nfs/dbraw/zinc/38/88/61/197388861.db2.gz NDQJPCITQPCQOB-QGZVFWFLSA-N 1 0 316.424 2.658 20 70 DFIDRO [NH3+]C[C@H]1CCCN1C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000160140721 197388551 /nfs/dbraw/zinc/38/85/51/197388551.db2.gz IIYAMPPNQPCRML-OAHLLOKOSA-N 1 0 313.401 2.614 20 70 DFIDRO O=C(NCCCO[C@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000160125168 197388054 /nfs/dbraw/zinc/38/80/54/197388054.db2.gz PPINZAQIKGMWRM-AEFFLSMTSA-N 1 0 316.445 2.587 20 70 DFIDRO Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@@H]3C[NH3+])o2)cc1 ZINC000160125158 197387943 /nfs/dbraw/zinc/38/79/43/197387943.db2.gz NIQIEOOBYYRYKF-OAHLLOKOSA-N 1 0 313.401 2.532 20 70 DFIDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CCC(F)(F)F)cc2)C1 ZINC000160102993 197386205 /nfs/dbraw/zinc/38/62/05/197386205.db2.gz UQDDYDVAKHTMLJ-ZDUSSCGKSA-N 1 0 314.351 2.863 20 70 DFIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000160093616 197385653 /nfs/dbraw/zinc/38/56/53/197385653.db2.gz ABDGIQAAXHTWLL-AWEZNQCLSA-N 1 0 307.438 2.605 20 70 DFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)Cc1csc(-c2ccoc2)n1 ZINC000160069534 197383975 /nfs/dbraw/zinc/38/39/75/197383975.db2.gz XSGNNVNGOUGNLX-LBPRGKRZSA-N 1 0 321.446 2.792 20 70 DFIDRO CC(C)[C@H](C(=O)N(C)Cc1ccccc1N1CCCC1)[NH+](C)C ZINC000160018792 197380196 /nfs/dbraw/zinc/38/01/96/197380196.db2.gz BPNAPFVOHLUNAI-GOSISDBHSA-N 1 0 317.477 2.831 20 70 DFIDRO CCOCCC1(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)CCC1 ZINC000159977594 197378079 /nfs/dbraw/zinc/37/80/79/197378079.db2.gz NJBQLCPSZPNSCF-OAHLLOKOSA-N 1 0 308.397 2.539 20 70 DFIDRO CCOCC[N@@H+]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1CC ZINC000159929742 197373503 /nfs/dbraw/zinc/37/35/03/197373503.db2.gz PFTOLGKPUIGMEM-IBGZPJMESA-N 1 0 318.436 2.610 20 70 DFIDRO C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1cccnc1 ZINC000159905876 197372891 /nfs/dbraw/zinc/37/28/91/197372891.db2.gz GRFJNSGPZRUAGJ-HNNXBMFYSA-N 1 0 318.465 2.906 20 70 DFIDRO CCc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159873419 197370215 /nfs/dbraw/zinc/37/02/15/197370215.db2.gz XZUYHQTZJNUHKL-QRTARXTBSA-N 1 0 304.434 2.669 20 70 DFIDRO CCC[C@@H]([NH3+])C(=O)NCc1cccc(OC)c1OC1CCCC1 ZINC000159857440 197369167 /nfs/dbraw/zinc/36/91/67/197369167.db2.gz ZYDZXVHIDWDDFE-OAHLLOKOSA-N 1 0 320.433 2.760 20 70 DFIDRO CC[N@H+](CCCc1nc(-c2ccccc2)no1)CCC(=O)OC ZINC000159852365 197369275 /nfs/dbraw/zinc/36/92/75/197369275.db2.gz ITMVEXDHUVSFCE-UHFFFAOYSA-N 1 0 317.389 2.554 20 70 DFIDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000159560566 197361454 /nfs/dbraw/zinc/36/14/54/197361454.db2.gz WIJUSUYHXRQEDM-XKQJLSEDSA-N 1 0 303.402 2.751 20 70 DFIDRO CC(C)[C@@H]([NH3+])C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000159510747 197359991 /nfs/dbraw/zinc/35/99/91/197359991.db2.gz XLJOBUBTQYJWEO-CVEARBPZSA-N 1 0 324.852 2.595 20 70 DFIDRO CC(=O)c1cnc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)s1 ZINC000159506992 197358830 /nfs/dbraw/zinc/35/88/30/197358830.db2.gz KUSZRFQVAOLQRF-ZANVPECISA-N 1 0 303.387 2.620 20 70 DFIDRO O=C(c1cc(Cl)ccc1OC1CCCC1)N1CC[NH2+]CC1 ZINC000159440623 197354415 /nfs/dbraw/zinc/35/44/15/197354415.db2.gz BLTIIFZMWKNUOD-UHFFFAOYSA-N 1 0 308.809 2.707 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000159451255 197354386 /nfs/dbraw/zinc/35/43/86/197354386.db2.gz JBLDMXWNOOBQAF-GLQYFDAESA-N 1 0 310.825 2.674 20 70 DFIDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccnc(C)c1Cl ZINC000159362299 542716722 /nfs/dbraw/zinc/71/67/22/542716722.db2.gz KRHXWQRLUINDTI-GFCCVEGCSA-N 1 0 310.829 2.991 20 70 DFIDRO [NH3+]C1(CNC(=O)Cc2cccc(OC(F)F)c2)CCCCC1 ZINC000159508988 542717575 /nfs/dbraw/zinc/71/75/75/542717575.db2.gz JGYBQHNNAGSQHP-UHFFFAOYSA-N 1 0 312.360 2.608 20 70 DFIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000160225630 542722219 /nfs/dbraw/zinc/72/22/19/542722219.db2.gz MJNLHTYNDBZGJH-SNVBAGLBSA-N 1 0 322.232 2.748 20 70 DFIDRO CN(CCC[NH3+])C(=O)c1cccc(Br)c1Cl ZINC000160411795 542722564 /nfs/dbraw/zinc/72/25/64/542722564.db2.gz PSARTDMGTAVBSF-UHFFFAOYSA-N 1 0 305.603 2.523 20 70 DFIDRO COc1ccc(S[C@H](C)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161090986 542726914 /nfs/dbraw/zinc/72/69/14/542726914.db2.gz NHLFSIRDDLLOFW-FRRDWIJNSA-N 1 0 308.447 2.562 20 70 DFIDRO C[C@H](CC(=O)N1C[C@@H](C)Oc2cc(F)ccc21)C1CC[NH2+]CC1 ZINC000161103933 542726974 /nfs/dbraw/zinc/72/69/74/542726974.db2.gz VAXPJPMEZBWTFM-CHWSQXEVSA-N 1 0 320.408 2.965 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000161127753 542727202 /nfs/dbraw/zinc/72/72/02/542727202.db2.gz XGYAATDOQPMUON-KRWDZBQOSA-N 1 0 300.446 2.955 20 70 DFIDRO COc1ccccc1C[C@H](C)CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161260261 542727700 /nfs/dbraw/zinc/72/77/00/542727700.db2.gz CSBAEBQKZCDCSB-BPUTZDHNSA-N 1 0 304.434 2.650 20 70 DFIDRO Cc1ccc(Br)c(C(=O)NC2CCC([NH3+])CC2)c1 ZINC000161170149 542727797 /nfs/dbraw/zinc/72/77/97/542727797.db2.gz HBPPSFHDBRIYKM-UHFFFAOYSA-N 1 0 311.223 2.757 20 70 DFIDRO CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1F ZINC000161264801 542727835 /nfs/dbraw/zinc/72/78/35/542727835.db2.gz FJIIGEPZOXYHFZ-INIZCTEOSA-N 1 0 302.393 2.755 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000161367208 542728753 /nfs/dbraw/zinc/72/87/53/542728753.db2.gz FRFZKKAWGKYJPG-CABCVRRESA-N 1 0 319.453 2.630 20 70 DFIDRO COc1ccc(SCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161331059 542728804 /nfs/dbraw/zinc/72/88/04/542728804.db2.gz ZMCLYQLBZMJYCA-QWHCGFSZSA-N 1 0 308.447 2.564 20 70 DFIDRO CC(C)(C)n1nc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1C1CC1 ZINC000161508439 542730694 /nfs/dbraw/zinc/73/06/94/542730694.db2.gz FFVOUBONTWBWSF-STQMWFEESA-N 1 0 304.438 2.515 20 70 DFIDRO Cc1cc2occ(CC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c2cc1C ZINC000160929801 542725461 /nfs/dbraw/zinc/72/54/61/542725461.db2.gz KOJWDVFGNYMQAU-HUUCEWRRSA-N 1 0 300.402 2.978 20 70 DFIDRO Cc1cc(OC(F)F)c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000161038024 542726451 /nfs/dbraw/zinc/72/64/51/542726451.db2.gz YVTTZIDZHBXELQ-RKDXNWHRSA-N 1 0 304.362 2.658 20 70 DFIDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)CCc2ccccc2)cc1 ZINC000217713253 542878027 /nfs/dbraw/zinc/87/80/27/542878027.db2.gz WBKSUHMMERGVGI-QGZVFWFLSA-N 1 0 300.358 2.678 20 70 DFIDRO C[C@@H](CCc1cccc(F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160425049 145221078 /nfs/dbraw/zinc/22/10/78/145221078.db2.gz HKSSKHIGHNSTID-RRQGHBQHSA-N 1 0 304.409 2.747 20 70 DFIDRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)[C@H]([NH3+])C(C)C)cc1 ZINC000161103104 292279085 /nfs/dbraw/zinc/27/90/85/292279085.db2.gz GQZABGWISMJXBU-BRWVUGGUSA-N 1 0 304.434 2.562 20 70 DFIDRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000218113963 268139573 /nfs/dbraw/zinc/13/95/73/268139573.db2.gz SKGUCRICKHVJIY-URGYJCLVSA-N 1 0 312.454 2.573 20 70 DFIDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c1 ZINC000218087685 268139735 /nfs/dbraw/zinc/13/97/35/268139735.db2.gz OROQHGVZNQKYLH-GFCCVEGCSA-N 1 0 321.421 2.820 20 70 DFIDRO CCn1ccnc1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218238820 268139746 /nfs/dbraw/zinc/13/97/46/268139746.db2.gz DASJJROIQDTKSV-AWEZNQCLSA-N 1 0 322.453 2.640 20 70 DFIDRO COc1cc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000217935577 268139780 /nfs/dbraw/zinc/13/97/80/268139780.db2.gz AUWUROJCGWZUOU-AWEZNQCLSA-N 1 0 321.421 2.579 20 70 DFIDRO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217853861 268139909 /nfs/dbraw/zinc/13/99/09/268139909.db2.gz GHUZPASRPUYWNZ-GWCFXTLKSA-N 1 0 302.187 2.839 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)Cc1coc(-c2cccs2)n1 ZINC000160420585 425981388 /nfs/dbraw/zinc/98/13/88/425981388.db2.gz BSDNGGREUIDQKI-UHFFFAOYSA-N 1 0 307.419 2.579 20 70 DFIDRO CC(=O)Nc1ccccc1C[NH2+]CCCNC(=O)OC(C)(C)C ZINC000160410651 425982138 /nfs/dbraw/zinc/98/21/38/425982138.db2.gz ZFMRWXFWUGKOQS-UHFFFAOYSA-N 1 0 321.421 2.649 20 70 DFIDRO CSc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1F ZINC000160524293 425985362 /nfs/dbraw/zinc/98/53/62/425985362.db2.gz NILVHFSEPFPYGQ-CYBMUJFWSA-N 1 0 308.422 2.858 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CSCCc3ccccc31)CC2 ZINC000160519229 425985598 /nfs/dbraw/zinc/98/55/98/425985598.db2.gz HUIISCNEXTVNCF-GOEBONIOSA-N 1 0 314.458 2.522 20 70 DFIDRO CC1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000160551848 425986000 /nfs/dbraw/zinc/98/60/00/425986000.db2.gz BONFGTCFQUTGGR-ZBFHGGJFSA-N 1 0 322.399 2.916 20 70 DFIDRO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161013037 426005711 /nfs/dbraw/zinc/00/57/11/426005711.db2.gz PPRNDRHLDATUAB-LZLYRXPVSA-N 1 0 310.482 2.506 20 70 DFIDRO CC1CC[NH+](CCNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000160551268 425986474 /nfs/dbraw/zinc/98/64/74/425986474.db2.gz YXNDRQZHAUQKBK-GJZGRUSLSA-N 1 0 322.399 2.916 20 70 DFIDRO O=C(Nc1nc2ccccc2n1C1CCCC1)[C@@]1(F)CC[NH2+]C1 ZINC000160532350 425986730 /nfs/dbraw/zinc/98/67/30/425986730.db2.gz AJOKGSWLJLWUBO-QGZVFWFLSA-N 1 0 316.380 2.792 20 70 DFIDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160554692 425987028 /nfs/dbraw/zinc/98/70/28/425987028.db2.gz DKYKXHQJLWACMU-DOMZBBRYSA-N 1 0 300.406 2.651 20 70 DFIDRO O=C(NCC[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000160569907 425987398 /nfs/dbraw/zinc/98/73/98/425987398.db2.gz HWDAYGUKLFTVBE-DZGCQCFKSA-N 1 0 308.372 2.670 20 70 DFIDRO COc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)cc2c1OCCO2 ZINC000160621168 425989572 /nfs/dbraw/zinc/98/95/72/425989572.db2.gz SQUOCFABFJQHHM-ZDUSSCGKSA-N 1 0 307.390 2.514 20 70 DFIDRO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2CCOC(C)(C)C2)cs1 ZINC000160624792 425990119 /nfs/dbraw/zinc/99/01/19/425990119.db2.gz GPEVXGIRGLQLQU-GFCCVEGCSA-N 1 0 311.451 2.563 20 70 DFIDRO C[C@@H]1CCO[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160641396 425991442 /nfs/dbraw/zinc/99/14/42/425991442.db2.gz YDCCHGLCAXXKJQ-SOLBZPMBSA-N 1 0 316.445 2.534 20 70 DFIDRO CC[C@H](O)CCNC(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000160746996 425994900 /nfs/dbraw/zinc/99/49/00/425994900.db2.gz BVZOQTAULFGWDV-DLBZAZTESA-N 1 0 321.465 2.530 20 70 DFIDRO OCCC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccccc1 ZINC000160781510 425996044 /nfs/dbraw/zinc/99/60/44/425996044.db2.gz LCDYZGVIOSEALW-MRXNPFEDSA-N 1 0 312.404 2.819 20 70 DFIDRO O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc(F)c(Br)c1 ZINC000160807182 425996077 /nfs/dbraw/zinc/99/60/77/425996077.db2.gz NTAYWYOOKRBINO-VIFPVBQESA-N 1 0 315.186 2.916 20 70 DFIDRO Cc1nc2ccccn2c1CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000160802485 425996905 /nfs/dbraw/zinc/99/69/05/425996905.db2.gz GPLXKNQLISHXJA-INIZCTEOSA-N 1 0 300.450 2.949 20 70 DFIDRO CCOCCC1(C(=O)NCCC[NH+]2CCC(C)CC2)CCC1 ZINC000160838839 425998013 /nfs/dbraw/zinc/99/80/13/425998013.db2.gz WPVYWDHLBPQZHF-UHFFFAOYSA-N 1 0 310.482 2.822 20 70 DFIDRO CSCC[C@H](C)N(C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160855487 425998504 /nfs/dbraw/zinc/99/85/04/425998504.db2.gz XAQNCWKDGWRGHV-KBPBESRZSA-N 1 0 313.511 2.786 20 70 DFIDRO C[C@H]([NH3+])C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000160853830 425999028 /nfs/dbraw/zinc/99/90/28/425999028.db2.gz TXDKWAJVBBIBIN-QKVFXAPYSA-N 1 0 308.447 2.554 20 70 DFIDRO C[C@H]1C[C@H](c2ccccc2)CN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000160904798 426000728 /nfs/dbraw/zinc/00/07/28/426000728.db2.gz BAVMPFJMKHDKAX-ZYSHUDEJSA-N 1 0 308.425 2.961 20 70 DFIDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160907988 426001481 /nfs/dbraw/zinc/00/14/81/426001481.db2.gz OFKACWHPSPXKBL-CVEARBPZSA-N 1 0 308.466 2.859 20 70 DFIDRO CC1=C(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCO1 ZINC000160909561 426001771 /nfs/dbraw/zinc/00/17/71/426001771.db2.gz QFLTWCAUUKVXEB-RHSMWYFYSA-N 1 0 304.434 2.546 20 70 DFIDRO CC[N@@H+](Cc1c(C)n[nH]c1C)C[C@@H]1COc2ccccc2O1 ZINC000160956787 426002732 /nfs/dbraw/zinc/00/27/32/426002732.db2.gz PWQYBQGWRFBRLF-CQSZACIVSA-N 1 0 301.390 2.688 20 70 DFIDRO Cc1c(C[NH2+]CCc2ccc(Br)s2)cnn1C ZINC000160955083 426002826 /nfs/dbraw/zinc/00/28/26/426002826.db2.gz SLLGWEPRFVXSOP-UHFFFAOYSA-N 1 0 314.252 2.885 20 70 DFIDRO CCOC(=O)C1(C(=O)Nc2cc(C[NH+](C)C)ccc2C)CCC1 ZINC000160945928 426002829 /nfs/dbraw/zinc/00/28/29/426002829.db2.gz ALTQZKFHZNIAGY-UHFFFAOYSA-N 1 0 318.417 2.729 20 70 DFIDRO CC(C)CS(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160948781 426002987 /nfs/dbraw/zinc/00/29/87/426002987.db2.gz JKJCLCUUWPGTOY-UHFFFAOYSA-N 1 0 316.511 2.605 20 70 DFIDRO CCOCCC1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCC1 ZINC000160958722 426003132 /nfs/dbraw/zinc/00/31/32/426003132.db2.gz XGLSGMHNCFJOLB-INIZCTEOSA-N 1 0 310.482 2.964 20 70 DFIDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1ccc(F)cc1F ZINC000160999169 426003739 /nfs/dbraw/zinc/00/37/39/426003739.db2.gz PNWAXVVWBBNOAT-IAQYHMDHSA-N 1 0 309.360 2.766 20 70 DFIDRO C[C@H]1C[N@H+](CCOc2cccc(Br)c2)CC[C@@H]1O ZINC000159471897 425959979 /nfs/dbraw/zinc/95/99/79/425959979.db2.gz OXWCSIDLBAIBBP-FZMZJTMJSA-N 1 0 314.223 2.531 20 70 DFIDRO C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Cc1cccc(F)c1 ZINC000159407678 425960371 /nfs/dbraw/zinc/96/03/71/425960371.db2.gz OEUMCEUMLGAOIG-XYPHTWIQSA-N 1 0 304.409 2.747 20 70 DFIDRO C[NH+](C)C[C@H](NC(=O)NC[C@@]1(C)CCCS1)c1ccccc1 ZINC000159442075 425960872 /nfs/dbraw/zinc/96/08/72/425960872.db2.gz PALQLQWVZPWOLY-DOTOQJQBSA-N 1 0 321.490 2.874 20 70 DFIDRO O=C(c1ccc(Oc2ccccc2)nc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159654504 425965550 /nfs/dbraw/zinc/96/55/50/425965550.db2.gz IKTBHRNHYRPIHJ-IYBDPMFKSA-N 1 0 323.396 2.840 20 70 DFIDRO Cc1cccc(CCC(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159737171 425966128 /nfs/dbraw/zinc/96/61/28/425966128.db2.gz DMTHEVRFWANSFT-UHFFFAOYSA-N 1 0 300.446 2.918 20 70 DFIDRO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)ccc1Br ZINC000159772552 425967811 /nfs/dbraw/zinc/96/78/11/425967811.db2.gz IYGZAEDOWRJPCO-CYBMUJFWSA-N 1 0 311.223 2.567 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)COc1ccccc1 ZINC000159952907 425971177 /nfs/dbraw/zinc/97/11/77/425971177.db2.gz VXAMDNCMSIKDKD-OAHLLOKOSA-N 1 0 320.458 2.836 20 70 DFIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1cccc(Cl)c1 ZINC000160010021 425972778 /nfs/dbraw/zinc/97/27/78/425972778.db2.gz AXUCBPKAZYKQCC-ZENOOKHLSA-N 1 0 308.809 2.811 20 70 DFIDRO Cc1ccc(N2CC[C@H]([NH+]3CCC(c4cc[nH]n4)CC3)C2=O)cc1 ZINC000160071968 425974053 /nfs/dbraw/zinc/97/40/53/425974053.db2.gz JONRMSSOLGQUGP-SFHVURJKSA-N 1 0 324.428 2.703 20 70 DFIDRO COCC[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160186151 425975987 /nfs/dbraw/zinc/97/59/87/425975987.db2.gz YQGZDYZSZVUZKX-HIFRSBDPSA-N 1 0 305.397 2.681 20 70 DFIDRO CC(C)OC(=O)[C@@H](C)N(C)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000160178529 425976835 /nfs/dbraw/zinc/97/68/35/425976835.db2.gz BRAVETFSKIWMEK-CQSZACIVSA-N 1 0 310.413 2.529 20 70 DFIDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCCCO1 ZINC000160272931 425977862 /nfs/dbraw/zinc/97/78/62/425977862.db2.gz VMBVZDYUXFQOJS-SFHVURJKSA-N 1 0 316.445 2.858 20 70 DFIDRO CCOCCC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000160266855 425978129 /nfs/dbraw/zinc/97/81/29/425978129.db2.gz GLKJBKSSYZDLEP-UHFFFAOYSA-N 1 0 316.405 2.738 20 70 DFIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000160344251 425978718 /nfs/dbraw/zinc/97/87/18/425978718.db2.gz KDDVOEYRAXVNJK-YPMHNXCESA-N 1 0 300.443 2.656 20 70 DFIDRO CC(=O)N(C)c1cccc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000160332844 425979433 /nfs/dbraw/zinc/97/94/33/425979433.db2.gz GHLYPYWWJAIQES-DZGCQCFKSA-N 1 0 317.433 2.634 20 70 DFIDRO CCC[N@@H+](Cc1cnn(CC)c1)C[C@H]1COc2ccccc2O1 ZINC000161415592 426022634 /nfs/dbraw/zinc/02/26/34/426022634.db2.gz NSSAHJQJAOGJEX-INIZCTEOSA-N 1 0 315.417 2.955 20 70 DFIDRO CN(CC[NH2+][C@@H](CCO)c1ccccc1)Cc1ccc(F)cc1 ZINC000161436296 426024272 /nfs/dbraw/zinc/02/42/72/426024272.db2.gz NKMBDNWUWKAXMP-IBGZPJMESA-N 1 0 316.420 2.971 20 70 DFIDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161442349 426024745 /nfs/dbraw/zinc/02/47/45/426024745.db2.gz YFUPUNPCVHUVEP-LBPRGKRZSA-N 1 0 301.434 2.661 20 70 DFIDRO COCc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000161479359 426026015 /nfs/dbraw/zinc/02/60/15/426026015.db2.gz NNJGMGJGCHPCBN-PBHICJAKSA-N 1 0 317.433 2.781 20 70 DFIDRO C[C@@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@H]1c1cccc(F)c1 ZINC000161485844 426026128 /nfs/dbraw/zinc/02/61/28/426026128.db2.gz VINXYTKLLXXKJR-RPVQJOFSSA-N 1 0 320.408 2.504 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC000161505352 426026146 /nfs/dbraw/zinc/02/61/46/426026146.db2.gz KKQXVKFIFDEXNQ-VXLLPVPCSA-N 1 0 310.482 2.865 20 70 DFIDRO C[C@@H]1CN(Cc2ccc(Br)c(F)c2)[C@H](C)C[NH2+]1 ZINC000161500379 426026638 /nfs/dbraw/zinc/02/66/38/426026638.db2.gz MVBCLJHBHQJSQM-NXEZZACHSA-N 1 0 301.203 2.770 20 70 DFIDRO CCC[C@@H](C(=O)NCc1ccc(Br)s1)[NH+](C)C ZINC000161489057 426026838 /nfs/dbraw/zinc/02/68/38/426026838.db2.gz BHOVBHGWVRCZOO-JTQLQIEISA-N 1 0 319.268 2.857 20 70 DFIDRO [NH3+]C[C@@H]1CCCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161490454 426026884 /nfs/dbraw/zinc/02/68/84/426026884.db2.gz ZIXDKDCTFVOCPW-NSHDSACASA-N 1 0 301.203 2.759 20 70 DFIDRO O=C(NCCC[NH+]1CCCCCC1)c1ccnc(Cl)c1F ZINC000161089831 426007598 /nfs/dbraw/zinc/00/75/98/426007598.db2.gz ADVIQAFHVJJWPH-UHFFFAOYSA-N 1 0 313.804 2.870 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)CCC(=O)c2ccc(C)cc2)CC1 ZINC000161077615 426007763 /nfs/dbraw/zinc/00/77/63/426007763.db2.gz HJEGJCBJKUAFBW-UHFFFAOYSA-N 1 0 316.445 2.806 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000161094873 426008577 /nfs/dbraw/zinc/00/85/77/426008577.db2.gz OSLGNEUCTZPYKV-CVEARBPZSA-N 1 0 322.399 2.916 20 70 DFIDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1cnn(C)c1 ZINC000161099539 426008601 /nfs/dbraw/zinc/00/86/01/426008601.db2.gz IMAQBFNXQJRQKH-AWEZNQCLSA-N 1 0 306.797 2.753 20 70 DFIDRO COCCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161090189 426008761 /nfs/dbraw/zinc/00/87/61/426008761.db2.gz QLDMXDKTCBVEGD-ZIAGYGMSSA-N 1 0 303.324 2.850 20 70 DFIDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000161102797 426009072 /nfs/dbraw/zinc/00/90/72/426009072.db2.gz RTNVQUFZRRBAON-KURKYZTESA-N 1 0 316.445 2.579 20 70 DFIDRO CCN(Cc1ccccn1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000161143496 426009709 /nfs/dbraw/zinc/00/97/09/426009709.db2.gz YUYROWAGRXIWLC-SFHVURJKSA-N 1 0 309.413 2.923 20 70 DFIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000161132627 426009835 /nfs/dbraw/zinc/00/98/35/426009835.db2.gz TYJXHXDTJQRWFL-BMFZPTHFSA-N 1 0 324.490 2.614 20 70 DFIDRO CN(CC[N@H+](C)CCc1ccccn1)Cc1ccc(F)cc1 ZINC000161144945 426010155 /nfs/dbraw/zinc/01/01/55/426010155.db2.gz XSUGFUWFONKMRW-UHFFFAOYSA-N 1 0 301.409 2.827 20 70 DFIDRO C[C@@H]1SCCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H]1c1ccccc1 ZINC000161184177 426012755 /nfs/dbraw/zinc/01/27/55/426012755.db2.gz PUSZWFNUXVJLNL-NUEKZKHPSA-N 1 0 304.459 2.691 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(CN(C)C(=O)OC)cc1 ZINC000161232746 426013615 /nfs/dbraw/zinc/01/36/15/426013615.db2.gz FFPPMUVPHMTMNX-UHFFFAOYSA-N 1 0 321.421 2.588 20 70 DFIDRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCOC1 ZINC000161258558 426014661 /nfs/dbraw/zinc/01/46/61/426014661.db2.gz JCWWKPGOZWSLKE-ZIAGYGMSSA-N 1 0 300.443 2.694 20 70 DFIDRO CCN(CCC[NH2+]C1CCC(NC(C)=O)CC1)c1ccccc1 ZINC000161234766 426014762 /nfs/dbraw/zinc/01/47/62/426014762.db2.gz AUTGBTAMFKGBKJ-UHFFFAOYSA-N 1 0 317.477 2.940 20 70 DFIDRO CCc1nnc(CN2CCC(CCC[NH+](CC)CC)CC2)[nH]1 ZINC000161239376 426015215 /nfs/dbraw/zinc/01/52/15/426015215.db2.gz QJRWZPBRDFUPPY-UHFFFAOYSA-N 1 0 307.486 2.701 20 70 DFIDRO CCOCc1ccc(C[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161273128 426015907 /nfs/dbraw/zinc/01/59/07/426015907.db2.gz MXOSGMDSGOVQDP-UHFFFAOYSA-N 1 0 304.434 2.760 20 70 DFIDRO COc1ccc(C(F)(F)C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000161295871 426017414 /nfs/dbraw/zinc/01/74/14/426017414.db2.gz RLVDZYRVHGONNE-UHFFFAOYSA-N 1 0 324.371 2.530 20 70 DFIDRO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000161291638 426017695 /nfs/dbraw/zinc/01/76/95/426017695.db2.gz OZXLFROJLMJHMS-CYBMUJFWSA-N 1 0 306.360 2.956 20 70 DFIDRO CC[N@H+](C)[C@H](C(=O)Nc1ccc(OC)c(N)c1)c1ccccc1 ZINC000161282970 426017776 /nfs/dbraw/zinc/01/77/76/426017776.db2.gz KCHFYFBTXFNLTA-KRWDZBQOSA-N 1 0 313.401 2.909 20 70 DFIDRO Cc1ccc(C(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000161300448 426017860 /nfs/dbraw/zinc/01/78/60/426017860.db2.gz WWQAKTGHWXBEAY-IAGOWNOFSA-N 1 0 314.429 2.558 20 70 DFIDRO C[C@@H]1Cc2ccccc2N1CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161369261 426021499 /nfs/dbraw/zinc/02/14/99/426021499.db2.gz SIWYEVTVGJIKOS-OAHLLOKOSA-N 1 0 316.445 2.713 20 70 DFIDRO CCCCOc1ncccc1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161374864 426021853 /nfs/dbraw/zinc/02/18/53/426021853.db2.gz IVWNCRTYXCKEGO-UHFFFAOYSA-N 1 0 319.449 2.797 20 70 DFIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCOC(C)C ZINC000217034551 426563290 /nfs/dbraw/zinc/56/32/90/426563290.db2.gz QWFMAMJLBITVFV-INIZCTEOSA-N 1 0 313.486 2.755 20 70 DFIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc2c(c1)CCO2 ZINC000160391278 276590390 /nfs/dbraw/zinc/59/03/90/276590390.db2.gz JXSPSPXJVLBJGO-CVEARBPZSA-N 1 0 312.417 2.577 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 ZINC000161341450 277024725 /nfs/dbraw/zinc/02/47/25/277024725.db2.gz NWGCNIZGKCLFBJ-KUQKPQIMSA-N 1 0 309.498 2.534 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Oc1cc(C)ccc1Cl ZINC000161339167 277032643 /nfs/dbraw/zinc/03/26/43/277032643.db2.gz PRZDKVMJRVQUFQ-QWHCGFSZSA-N 1 0 310.825 2.626 20 70 DFIDRO COC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000160202885 277570543 /nfs/dbraw/zinc/57/05/43/277570543.db2.gz WFEJBVMQTFVECF-NVXWUHKLSA-N 1 0 317.408 2.681 20 70 DFIDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160524738 277949452 /nfs/dbraw/zinc/94/94/52/277949452.db2.gz DDMMZHIDUAGRGQ-YOEHRIQHSA-N 1 0 312.417 2.577 20 70 DFIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000160472348 278760760 /nfs/dbraw/zinc/76/07/60/278760760.db2.gz SJCOWZLBEHDHTH-CPUCHLNUSA-N 1 0 319.405 2.673 20 70 DFIDRO CC(C)C[C@H](C)S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160137835 279117608 /nfs/dbraw/zinc/11/76/08/279117608.db2.gz IFUVUFKEGNYYHX-HOTGVXAUSA-N 1 0 316.511 2.701 20 70 DFIDRO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160864007 279345250 /nfs/dbraw/zinc/34/52/50/279345250.db2.gz OTJKRHLJUBHHSK-GJZGRUSLSA-N 1 0 314.433 2.778 20 70 DFIDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)C1CC1 ZINC000161154074 289360059 /nfs/dbraw/zinc/36/00/59/289360059.db2.gz OPLNMMZNHGLZSU-UMVBOHGHSA-N 1 0 308.372 2.525 20 70 DFIDRO C[C@H](C[NH2+][C@@H](C)C1CCOCC1)N1CCc2sccc2C1 ZINC000159884440 289688986 /nfs/dbraw/zinc/68/89/86/289688986.db2.gz DGOCCKNJQKFUQB-KGLIPLIRSA-N 1 0 308.491 2.899 20 70 DFIDRO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159456731 295376785 /nfs/dbraw/zinc/37/67/85/295376785.db2.gz MDBCHSBKVJKPMK-GOEBONIOSA-N 1 0 304.438 2.516 20 70 DFIDRO CCN(CC[NH2+][C@@H]1CCCc2c1cnn2C)C(=O)OC(C)(C)C ZINC000159504538 295377849 /nfs/dbraw/zinc/37/78/49/295377849.db2.gz AFCASIGPJOCKMP-CQSZACIVSA-N 1 0 322.453 2.644 20 70 DFIDRO C[NH+](C)C(C)(C)CNC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000159533660 295378242 /nfs/dbraw/zinc/37/82/42/295378242.db2.gz FATWSBBGIOVTDF-UHFFFAOYSA-N 1 0 318.339 2.584 20 70 DFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000159610301 295379028 /nfs/dbraw/zinc/37/90/28/295379028.db2.gz DNCHNHNPWFIMKM-RDTXWAMCSA-N 1 0 309.413 2.834 20 70 DFIDRO CC1CCC([NH+]2CCN(C(=O)[C@H]3CCC(=O)C[C@@H]3C)CC2)CC1 ZINC000160009868 295385112 /nfs/dbraw/zinc/38/51/12/295385112.db2.gz KAEVEODABUYDJZ-OQGULXLBSA-N 1 0 320.477 2.715 20 70 DFIDRO CC1CCC([NH+]2CCN(C(=O)[C@@H]3CCC(=O)C[C@H]3C)CC2)CC1 ZINC000160009980 295385237 /nfs/dbraw/zinc/38/52/37/295385237.db2.gz KAEVEODABUYDJZ-HDWXEKECSA-N 1 0 320.477 2.715 20 70 DFIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)C(=O)c1ccc(C)cc1 ZINC000160110986 295386656 /nfs/dbraw/zinc/38/66/56/295386656.db2.gz FJNLXKDMVZLLRH-OAHLLOKOSA-N 1 0 304.434 2.804 20 70 DFIDRO CC(C)(C)CCS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160131985 295387023 /nfs/dbraw/zinc/38/70/23/295387023.db2.gz FKIJXRRAEGEQNI-OAHLLOKOSA-N 1 0 316.511 2.703 20 70 DFIDRO CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160427618 295391105 /nfs/dbraw/zinc/39/11/05/295391105.db2.gz GWCPRPMTICIFGG-MRXNPFEDSA-N 1 0 304.434 2.936 20 70 DFIDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(F)cc3cccnc32)C1 ZINC000160497086 295392098 /nfs/dbraw/zinc/39/20/98/295392098.db2.gz AFKRDZWYHWIOQX-ZDUSSCGKSA-N 1 0 315.392 2.836 20 70 DFIDRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)[C@@H](C)CO ZINC000160544187 295392653 /nfs/dbraw/zinc/39/26/53/295392653.db2.gz XVZCZTGPOALOII-XGUBFFRZSA-N 1 0 314.470 2.771 20 70 DFIDRO C[NH+](C)Cc1ccc(C(=O)N(Cc2ccncc2)C2CC2)cc1 ZINC000160875800 295395969 /nfs/dbraw/zinc/39/59/69/295395969.db2.gz HVXASYPOOFUIOP-UHFFFAOYSA-N 1 0 309.413 2.948 20 70 DFIDRO CC[NH+](CC)[C@@H](C(=O)N[C@H](CO)CC(C)C)c1ccccc1 ZINC000161040508 295397712 /nfs/dbraw/zinc/39/77/12/295397712.db2.gz NUWNUNDUPGAQEY-DLBZAZTESA-N 1 0 306.450 2.593 20 70 DFIDRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCCC[NH+]1CCCCCC1 ZINC000161088953 295398449 /nfs/dbraw/zinc/39/84/49/295398449.db2.gz XNXDNIOYRNLVAQ-CQSZACIVSA-N 1 0 320.481 2.902 20 70 DFIDRO O=C(CNC1CC[NH+](CC2CC2)CC1)Nc1ccc(Cl)cc1 ZINC000161100996 295398544 /nfs/dbraw/zinc/39/85/44/295398544.db2.gz RJRHPHQBSDABIX-UHFFFAOYSA-N 1 0 321.852 2.743 20 70 DFIDRO C[NH+](C)Cc1ccc(C(=O)Nc2nnc(C(F)F)s2)cc1 ZINC000161091117 295398583 /nfs/dbraw/zinc/39/85/83/295398583.db2.gz ORSGQMITBSOJEW-UHFFFAOYSA-N 1 0 312.345 2.790 20 70 DFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C1CCOCC1 ZINC000161217432 295399898 /nfs/dbraw/zinc/39/98/98/295399898.db2.gz ISRISAASEHZEEI-RDJZCZTQSA-N 1 0 310.482 2.676 20 70 DFIDRO CS(=O)(=O)CCCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000161213079 295399924 /nfs/dbraw/zinc/39/99/24/295399924.db2.gz MMQCIXBTVMDEJA-QGZVFWFLSA-N 1 0 318.442 2.585 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000161245776 295400312 /nfs/dbraw/zinc/40/03/12/295400312.db2.gz OZMCFKKGSZPQLA-NSHDSACASA-N 1 0 311.223 2.711 20 70 DFIDRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCCOC1 ZINC000161258641 295400795 /nfs/dbraw/zinc/40/07/95/295400795.db2.gz JCWWKPGOZWSLKE-KBPBESRZSA-N 1 0 300.443 2.694 20 70 DFIDRO Cc1cnc(N2CCC[C@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000160453253 302350063 /nfs/dbraw/zinc/35/00/63/302350063.db2.gz BHONVUZXEJNRSL-AWEZNQCLSA-N 1 0 304.394 2.753 20 70 DFIDRO [NH2+]=C(NCC1(O)CCCC1)Nc1ccccc1OC(F)(F)F ZINC000160699276 332888301 /nfs/dbraw/zinc/88/83/01/332888301.db2.gz CTRPZTXDBZMSED-UHFFFAOYSA-N 1 0 317.311 2.617 20 70 DFIDRO CC(C)(C)[C@H](COc1ccccc1F)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159774121 518958659 /nfs/dbraw/zinc/95/86/59/518958659.db2.gz LRQZHZFBSLACBX-CJNGLKHVSA-N 1 0 322.424 2.735 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)NCCC2CC[NH+](C)CC2)n1 ZINC000160842301 519703461 /nfs/dbraw/zinc/70/34/61/519703461.db2.gz QSZNEKXEPBRMBJ-UHFFFAOYSA-N 1 0 321.469 2.783 20 70 DFIDRO CCC[N@@H+]1CCCN(C(=O)[C@@H](C)Oc2cccc(F)c2)CC1 ZINC000160399188 519850563 /nfs/dbraw/zinc/85/05/63/519850563.db2.gz PGTTZGFYMGQSDU-CQSZACIVSA-N 1 0 308.397 2.537 20 70 DFIDRO COCC[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160185735 521921768 /nfs/dbraw/zinc/92/17/68/521921768.db2.gz YQGZDYZSZVUZKX-DZGCQCFKSA-N 1 0 305.397 2.681 20 70 DFIDRO Cn1ncc2c1CCC[C@@H]2NC[C@H](C1CCCCC1)[NH+](C)C ZINC000160421569 522090284 /nfs/dbraw/zinc/09/02/84/522090284.db2.gz URAPCYGQJFANEX-FUHWJXTLSA-N 1 0 304.482 2.898 20 70 DFIDRO Cc1c(C(=O)N2CCC([NH2+]CC3CC3)CC2)cnn1C(C)(C)C ZINC000159740043 525571647 /nfs/dbraw/zinc/57/16/47/525571647.db2.gz GLSPSAIWGXRFDO-UHFFFAOYSA-N 1 0 318.465 2.551 20 70 DFIDRO Cn1nccc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160524483 527599789 /nfs/dbraw/zinc/59/97/89/527599789.db2.gz GXPSHZAGZDRYOU-UHFFFAOYSA-N 1 0 300.362 2.708 20 70 DFIDRO O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160463266 527676382 /nfs/dbraw/zinc/67/63/82/527676382.db2.gz AIUPQVNTZTUSLQ-IAGOWNOFSA-N 1 0 323.481 2.556 20 70 DFIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(-n2ccnc2)cc1 ZINC000159543842 186125981 /nfs/dbraw/zinc/12/59/81/186125981.db2.gz SINKBJPCFKZJEN-HNNXBMFYSA-N 1 0 312.417 2.535 20 70 DFIDRO Cc1ccc2cc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)ccc2n1 ZINC000159549757 186126282 /nfs/dbraw/zinc/12/62/82/186126282.db2.gz KXFZFVGSXMWANG-CQSZACIVSA-N 1 0 309.413 2.757 20 70 DFIDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000159588645 186129112 /nfs/dbraw/zinc/12/91/12/186129112.db2.gz BVRYZDPIBVEMKC-MAZHCROVSA-N 1 0 318.373 2.651 20 70 DFIDRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCO)CCC3)cc1 ZINC000159701885 186136325 /nfs/dbraw/zinc/13/63/25/186136325.db2.gz FZRBGXWWCZSHHS-CYBMUJFWSA-N 1 0 304.415 2.778 20 70 DFIDRO COc1cc(C[N@H+](C)CCOCC2CC2)cc(OC)c1OC ZINC000159755303 186139950 /nfs/dbraw/zinc/13/99/50/186139950.db2.gz CQYITCNOHPZLDF-UHFFFAOYSA-N 1 0 309.406 2.571 20 70 DFIDRO FC(F)(F)c1nnc(N2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000160367348 282934739 /nfs/dbraw/zinc/93/47/39/282934739.db2.gz TXYTVHAJWBTXEQ-VIFPVBQESA-N 1 0 306.357 2.525 20 70 DFIDRO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000159611292 398965294 /nfs/dbraw/zinc/96/52/94/398965294.db2.gz CPXILRXXURECMG-JSGCOSHPSA-N 1 0 308.447 2.898 20 70 DFIDRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000159829926 398967855 /nfs/dbraw/zinc/96/78/55/398967855.db2.gz VQOGLZMHOUAUCW-CQSZACIVSA-N 1 0 321.465 2.752 20 70 DFIDRO CSCCCNC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000160372000 398970140 /nfs/dbraw/zinc/97/01/40/398970140.db2.gz XWPBJIXUAAIYSW-UHFFFAOYSA-N 1 0 315.527 2.893 20 70 DFIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160347055 398969930 /nfs/dbraw/zinc/96/99/30/398969930.db2.gz CJDOFVWZSZJZJJ-RHSMWYFYSA-N 1 0 319.474 2.696 20 70 DFIDRO CC(C)[NH2+]CCC(=O)Nc1nccn1Cc1ccccc1Cl ZINC000160827611 398973335 /nfs/dbraw/zinc/97/33/35/398973335.db2.gz WSQRXMSYGUHAEM-UHFFFAOYSA-N 1 0 320.824 2.911 20 70 DFIDRO CC[C@H]([NH2+]CCNC(=O)c1cccnc1)c1ccc(F)cc1F ZINC000160756959 398973479 /nfs/dbraw/zinc/97/34/79/398973479.db2.gz VQJPFGXDTCFYFQ-INIZCTEOSA-N 1 0 319.355 2.831 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)CCOc2cccc(Cl)c2)CC1 ZINC000161118644 398975660 /nfs/dbraw/zinc/97/56/60/398975660.db2.gz XPQRCPWMLFXTDQ-UHFFFAOYSA-N 1 0 324.852 2.957 20 70 DFIDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000161510954 197500737 /nfs/dbraw/zinc/50/07/37/197500737.db2.gz LVFKADRUBBZGIM-AWEZNQCLSA-N 1 0 301.434 2.558 20 70 DFIDRO C[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)Oc1ccc(F)cc1 ZINC000161125664 197467901 /nfs/dbraw/zinc/46/79/01/197467901.db2.gz DWVZZKYCEILFOQ-KBPBESRZSA-N 1 0 322.424 2.735 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](CC)OC2CCCCC2)CC1 ZINC000161095390 197465301 /nfs/dbraw/zinc/46/53/01/197465301.db2.gz UCYYGPGPKBXHOP-QGZVFWFLSA-N 1 0 310.482 2.962 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)c2cccc(OC)c2)CC1 ZINC000161023624 197457990 /nfs/dbraw/zinc/45/79/90/197457990.db2.gz VDTQLBNKJQGIOI-CQSZACIVSA-N 1 0 304.434 2.647 20 70 DFIDRO CCCc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160561576 197421718 /nfs/dbraw/zinc/42/17/18/197421718.db2.gz NIRUSMKCSYGROR-NSHDSACASA-N 1 0 302.340 2.968 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000160503815 197417062 /nfs/dbraw/zinc/41/70/62/197417062.db2.gz RUVOHZXHOXUWFM-MGPQQGTHSA-N 1 0 313.228 2.917 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000160450691 197411150 /nfs/dbraw/zinc/41/11/50/197411150.db2.gz DIKNLGWHBGJUER-UHFFFAOYSA-N 1 0 318.396 2.567 20 70 DFIDRO CC[C@H](CO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160307698 197399374 /nfs/dbraw/zinc/39/93/74/197399374.db2.gz MWQVJCNZGVQTDP-LLVKDONJSA-N 1 0 309.207 2.858 20 70 DFIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)/C=C/c1ccc(Cl)nc1 ZINC000160251183 197395890 /nfs/dbraw/zinc/39/58/90/197395890.db2.gz XEBAZRFIKXZFPE-OWNNVSBGSA-N 1 0 309.841 2.841 20 70 DFIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000160219768 197393356 /nfs/dbraw/zinc/39/33/56/197393356.db2.gz MVXXHLLHLGCHNJ-VXGBXAGGSA-N 1 0 308.403 2.600 20 70 DFIDRO [NH3+]C[C@@H]1CCCN1C(=O)COc1ccccc1-c1ccccc1 ZINC000160157001 197389970 /nfs/dbraw/zinc/38/99/70/197389970.db2.gz PVNZGQUTUGEVNP-INIZCTEOSA-N 1 0 310.397 2.682 20 70 DFIDRO [NH3+]CCCNC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000160066494 197383881 /nfs/dbraw/zinc/38/38/81/197383881.db2.gz RYZJBSLEBPLPBY-MOPGFXCFSA-N 1 0 324.424 2.834 20 70 DFIDRO COc1cccc(Cl)c1CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000160138634 197388777 /nfs/dbraw/zinc/38/87/77/197388777.db2.gz MYMVMTJDFMYUTM-STQMWFEESA-N 1 0 324.852 2.832 20 70 DFIDRO OCC1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCCC1 ZINC000160120069 197386830 /nfs/dbraw/zinc/38/68/30/197386830.db2.gz ZEPAQHKNRBTLLH-UHFFFAOYSA-N 1 0 311.809 2.754 20 70 DFIDRO Cc1nc(CCNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)sc1C ZINC000160093897 197385141 /nfs/dbraw/zinc/38/51/41/197385141.db2.gz YTLLVUYFQOCMRI-GVXVVHGQSA-N 1 0 309.479 2.680 20 70 DFIDRO CC(C)([NH3+])CNC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 ZINC000160086375 197384851 /nfs/dbraw/zinc/38/48/51/197384851.db2.gz MQJZEBMJGYOXTE-BQYQJAHWSA-N 1 0 303.793 2.755 20 70 DFIDRO CN(CC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000160000901 197378636 /nfs/dbraw/zinc/37/86/36/197378636.db2.gz LTALXLJYPVHDGR-LBPRGKRZSA-N 1 0 316.232 2.601 20 70 DFIDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000159969764 197376620 /nfs/dbraw/zinc/37/66/20/197376620.db2.gz XLBLSNBYIVGNLY-SNVBAGLBSA-N 1 0 302.340 2.738 20 70 DFIDRO C[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)N1CCc2ccccc21 ZINC000159937832 197374902 /nfs/dbraw/zinc/37/49/02/197374902.db2.gz MYWJZDFYOYGAPL-YOEHRIQHSA-N 1 0 310.445 2.838 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](c2nc(C)cs2)C2CC2)CC1 ZINC000159911095 197372716 /nfs/dbraw/zinc/37/27/16/197372716.db2.gz VCHFGHPHTMBBKV-AWEZNQCLSA-N 1 0 322.478 2.640 20 70 DFIDRO C[C@@H](Cc1ccccc1F)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159864679 197370464 /nfs/dbraw/zinc/37/04/64/197370464.db2.gz YUOKQZJLBWLHCC-AWEZNQCLSA-N 1 0 318.436 2.995 20 70 DFIDRO NC(=O)CC1CC[NH+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000159822630 197367679 /nfs/dbraw/zinc/36/76/79/197367679.db2.gz YYDJIZVZZIPXHM-UHFFFAOYSA-N 1 0 318.389 2.823 20 70 DFIDRO CCCCOc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000159800358 197365690 /nfs/dbraw/zinc/36/56/90/197365690.db2.gz ZTLUEXFNQYAYPP-UHFFFAOYSA-N 1 0 304.434 2.953 20 70 DFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000159795260 197365422 /nfs/dbraw/zinc/36/54/22/197365422.db2.gz CMXOCWHGKJOZAE-SQNIBIBYSA-N 1 0 315.461 2.696 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159808186 197365007 /nfs/dbraw/zinc/36/50/07/197365007.db2.gz ZRISCUMWSSEOQJ-OCCSQVGLSA-N 1 0 312.866 2.736 20 70 DFIDRO COc1cc(C)c([C@H](C)[NH2+]CCCN2CCCC2=O)cc1OC ZINC000159483017 197357023 /nfs/dbraw/zinc/35/70/23/197357023.db2.gz JWVGTPNSJPLVDI-AWEZNQCLSA-N 1 0 320.433 2.675 20 70 DFIDRO CCS[C@@H]1CCCCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000159765287 197362510 /nfs/dbraw/zinc/36/25/10/197362510.db2.gz DWPDSXJIPMUSQX-HZPDHXFCSA-N 1 0 306.475 2.691 20 70 DFIDRO CC(C)c1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159763368 197362157 /nfs/dbraw/zinc/36/21/57/197362157.db2.gz XLZCDXYOIVNUPK-RDJZCZTQSA-N 1 0 304.434 2.841 20 70 DFIDRO CCS[C@H]1CCCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000159764695 197362220 /nfs/dbraw/zinc/36/22/20/197362220.db2.gz DWPDSXJIPMUSQX-HOTGVXAUSA-N 1 0 306.475 2.691 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000159513378 197359575 /nfs/dbraw/zinc/35/95/75/197359575.db2.gz CMOYLRFTNAOZML-UHFFFAOYSA-N 1 0 309.841 2.620 20 70 DFIDRO Cc1cc(Oc2ccc(NC(=O)C[N@@H+](C)C(C)C)cc2)n[nH]1 ZINC000159515922 197359282 /nfs/dbraw/zinc/35/92/82/197359282.db2.gz WLOSLJZZUKOHDO-UHFFFAOYSA-N 1 0 302.378 2.789 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N(C)Cc1ccco1 ZINC000159754704 542719593 /nfs/dbraw/zinc/71/95/93/542719593.db2.gz KHORFPBOYCOZFK-UHFFFAOYSA-N 1 0 321.446 2.648 20 70 DFIDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)cn1 ZINC000159983264 542720060 /nfs/dbraw/zinc/72/00/60/542720060.db2.gz BJDLVZVTGXGBDQ-QGZVFWFLSA-N 1 0 310.445 2.764 20 70 DFIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccnc(C)c2Cl)C1 ZINC000159897074 542720158 /nfs/dbraw/zinc/72/01/58/542720158.db2.gz POPJCLCLPLJIKK-LBPRGKRZSA-N 1 0 310.829 2.897 20 70 DFIDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)cc1 ZINC000159901251 542720172 /nfs/dbraw/zinc/72/01/72/542720172.db2.gz ZVFGRIMOKHXBLY-QWHCGFSZSA-N 1 0 313.463 2.600 20 70 DFIDRO CC[C@H]1c2ccccc2CCN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000160049605 542720966 /nfs/dbraw/zinc/72/09/66/542720966.db2.gz KWSAXXOADBJTKJ-WBVHZDCISA-N 1 0 318.486 2.960 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc3ccc(Cl)cc3n2)C1 ZINC000161194830 542727378 /nfs/dbraw/zinc/72/73/78/542727378.db2.gz XJKPJXYVVXNIAT-OLZOCXBDSA-N 1 0 303.793 2.888 20 70 DFIDRO CCOc1ccccc1OCCCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161174861 542727730 /nfs/dbraw/zinc/72/77/30/542727730.db2.gz ROEJKMXAMKGGGN-CABCVRRESA-N 1 0 320.433 2.630 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(Br)c(F)c2)C1 ZINC000161317776 542728617 /nfs/dbraw/zinc/72/86/17/542728617.db2.gz NFBQQPGOYKVFEN-NXEZZACHSA-N 1 0 315.186 2.588 20 70 DFIDRO Cc1ccccc1NC(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161347403 542728947 /nfs/dbraw/zinc/72/89/47/542728947.db2.gz ZYHRALRCKHKYPW-MRXNPFEDSA-N 1 0 324.428 2.539 20 70 DFIDRO CC1(C)C[NH2+]CCN1Cc1ccc(Br)c(F)c1 ZINC000161500981 542730805 /nfs/dbraw/zinc/73/08/05/542730805.db2.gz DGUJOFSIEQPFKP-UHFFFAOYSA-N 1 0 301.203 2.772 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2csc(-c3cccs3)n2)C1 ZINC000161008544 542725986 /nfs/dbraw/zinc/72/59/86/542725986.db2.gz RZLXCBCCPHODLB-UWVGGRQHSA-N 1 0 307.444 2.871 20 70 DFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1csc(Br)c1 ZINC000217404326 542877000 /nfs/dbraw/zinc/87/70/00/542877000.db2.gz SHMYPBFOHGWOGT-SECBINFHSA-N 1 0 319.268 2.971 20 70 DFIDRO CC(C)c1cc(C(=O)NCC(C)(C)[NH3+])c2cnn(C(C)C)c2n1 ZINC000159984635 267534643 /nfs/dbraw/zinc/53/46/43/267534643.db2.gz YHETYCDLCSQGCE-UHFFFAOYSA-N 1 0 317.437 2.603 20 70 DFIDRO Cc1ccc(NC(=O)C(C)(C)C[NH3+])cc1OCC1CCOCC1 ZINC000160278524 267537954 /nfs/dbraw/zinc/53/79/54/267537954.db2.gz WGPHKDZAHOXJCM-UHFFFAOYSA-N 1 0 320.433 2.724 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000160536944 267539796 /nfs/dbraw/zinc/53/97/96/267539796.db2.gz QBOOUERZJIFRLJ-AWEZNQCLSA-N 1 0 302.418 2.832 20 70 DFIDRO CC(C)c1cccc(O[C@@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160688410 267541383 /nfs/dbraw/zinc/54/13/83/267541383.db2.gz JZITXAZJUOSOCV-BHYGNILZSA-N 1 0 316.445 2.930 20 70 DFIDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cc(Br)ccc1F ZINC000161351115 267547296 /nfs/dbraw/zinc/54/72/96/267547296.db2.gz ZJJGRKLKJQTAFM-JGVFFNPUSA-N 1 0 303.175 2.503 20 70 DFIDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000161355158 267548337 /nfs/dbraw/zinc/54/83/37/267548337.db2.gz XKXAUWPOZYHXNO-YUMQZZPRSA-N 1 0 303.175 2.503 20 70 DFIDRO Cc1cc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)nc(-c2cccnc2)n1 ZINC000160425530 425981848 /nfs/dbraw/zinc/98/18/48/425981848.db2.gz QRIDCLJVBYUHOO-XJKSGUPXSA-N 1 0 311.433 2.623 20 70 DFIDRO CC(C)[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160419910 425981945 /nfs/dbraw/zinc/98/19/45/425981945.db2.gz BGEMZXGHIJOIIL-AWEZNQCLSA-N 1 0 310.463 2.605 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)CC2 ZINC000160416677 425982052 /nfs/dbraw/zinc/98/20/52/425982052.db2.gz RUGLVTVADYMYFC-JQWIXIFHSA-N 1 0 322.359 2.854 20 70 DFIDRO Cc1nc(N2CCC[C@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000160438427 425983145 /nfs/dbraw/zinc/98/31/45/425983145.db2.gz XKTFBKYCFUNLMJ-AWEZNQCLSA-N 1 0 304.394 2.753 20 70 DFIDRO CCc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)s1 ZINC000160443169 425983174 /nfs/dbraw/zinc/98/31/74/425983174.db2.gz GAZWZKLMBYEFRU-ZDUSSCGKSA-N 1 0 323.506 2.514 20 70 DFIDRO COC(=O)c1ccc([C@@H](C)[NH+]2CCC(c3cnn(C)c3)CC2)o1 ZINC000160455645 425983288 /nfs/dbraw/zinc/98/32/88/425983288.db2.gz LVHNULVFUGBPJQ-GFCCVEGCSA-N 1 0 317.389 2.740 20 70 DFIDRO Cc1cc(N2CCC[C@@H]2C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000160441656 425983425 /nfs/dbraw/zinc/98/34/25/425983425.db2.gz QXUALNUMFIRJKZ-CQSZACIVSA-N 1 0 304.394 2.753 20 70 DFIDRO N#Cc1ccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)[nH]1 ZINC000160492771 425983675 /nfs/dbraw/zinc/98/36/75/425983675.db2.gz LLAKAJQEEATZOX-UHFFFAOYSA-N 1 0 314.433 2.615 20 70 DFIDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)[C@@H]1CCOC1 ZINC000160472751 425983783 /nfs/dbraw/zinc/98/37/83/425983783.db2.gz BIWJXQXIICMEKV-DOTOQJQBSA-N 1 0 303.450 2.833 20 70 DFIDRO Cc1nc(Cl)cc(N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000160484858 425984031 /nfs/dbraw/zinc/98/40/31/425984031.db2.gz SDRKLPADGLFBII-SCRDCRAPSA-N 1 0 324.856 2.516 20 70 DFIDRO C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1ncc(-c2ccccc2)o1 ZINC000160477466 425984159 /nfs/dbraw/zinc/98/41/59/425984159.db2.gz FXNMVDJJUFJXKL-BXUZGUMPSA-N 1 0 301.390 2.892 20 70 DFIDRO COc1cc(OC)c(C[NH2+][C@H]2CCOC(C)(C)C2)c(OC)c1 ZINC000160551534 425986133 /nfs/dbraw/zinc/98/61/33/425986133.db2.gz HYBAIFMNMUODAW-LBPRGKRZSA-N 1 0 309.406 2.760 20 70 DFIDRO CC[C@@H](C)C[N@H+](CC)CCC(=O)Nc1sccc1C(N)=O ZINC000160538663 425986568 /nfs/dbraw/zinc/98/65/68/425986568.db2.gz HKGIKNSCTZMPND-LLVKDONJSA-N 1 0 311.451 2.544 20 70 DFIDRO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(N2CCCCCC2)nc1 ZINC000160535074 425986918 /nfs/dbraw/zinc/98/69/18/425986918.db2.gz VMMZMWVDKJNQCU-WMZOPIPTSA-N 1 0 316.493 2.892 20 70 DFIDRO COC[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)C1CC1 ZINC000160558462 425987697 /nfs/dbraw/zinc/98/76/97/425987697.db2.gz KFUOUYJESPHPOS-KRWDZBQOSA-N 1 0 303.450 2.977 20 70 DFIDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160592492 425989100 /nfs/dbraw/zinc/98/91/00/425989100.db2.gz ZPDTVOZLQDKVPU-LLVKDONJSA-N 1 0 318.339 2.803 20 70 DFIDRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCCCO2)cc1 ZINC000160626021 425989445 /nfs/dbraw/zinc/98/94/45/425989445.db2.gz YFXRICFQKBYGRC-QGZVFWFLSA-N 1 0 320.433 2.915 20 70 DFIDRO C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccco1 ZINC000160623358 425989841 /nfs/dbraw/zinc/98/98/41/425989841.db2.gz DIMDOYXALMTDGR-OAHLLOKOSA-N 1 0 300.402 2.963 20 70 DFIDRO O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)Nc1ccccc1F ZINC000160652842 425991672 /nfs/dbraw/zinc/99/16/72/425991672.db2.gz WNHHOARECKNZOX-UHFFFAOYSA-N 1 0 316.380 2.757 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC000160751779 425994182 /nfs/dbraw/zinc/99/41/82/425994182.db2.gz DWFPXWWGVAEEGJ-OAHLLOKOSA-N 1 0 306.837 2.972 20 70 DFIDRO CO[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000161027290 426005982 /nfs/dbraw/zinc/00/59/82/426005982.db2.gz RNFRMZPZLOHPFZ-NWDGAFQWSA-N 1 0 303.233 2.932 20 70 DFIDRO CCCC[N@H+](CC(C)(C)CCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000160795458 425996281 /nfs/dbraw/zinc/99/62/81/425996281.db2.gz LMHJBNUNHQYYHH-CQSZACIVSA-N 1 0 300.468 2.606 20 70 DFIDRO C[C@]1(CNc2ncnc3nc[nH]c32)CCC[N@@H+]1Cc1ccccc1 ZINC000160799434 425996327 /nfs/dbraw/zinc/99/63/27/425996327.db2.gz RQESIKDCQQKBGQ-GOSISDBHSA-N 1 0 322.416 2.820 20 70 DFIDRO C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1)C1CCOCC1 ZINC000160817245 425997942 /nfs/dbraw/zinc/99/79/42/425997942.db2.gz WIBLGMOZCZPULN-GJZGRUSLSA-N 1 0 308.466 2.524 20 70 DFIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000160836321 425998224 /nfs/dbraw/zinc/99/82/24/425998224.db2.gz PNXXWGWHORGWSV-WCFLWFBJSA-N 1 0 302.340 2.650 20 70 DFIDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000160902964 426000144 /nfs/dbraw/zinc/00/01/44/426000144.db2.gz KYTRSERXVQRLHK-HNNXBMFYSA-N 1 0 312.373 2.924 20 70 DFIDRO C[NH+](C)[C@H](CNC(=O)c1ccnc(Cl)c1F)c1ccccc1 ZINC000160893545 426000456 /nfs/dbraw/zinc/00/04/56/426000456.db2.gz JZWDFSFXSSDKGZ-CYBMUJFWSA-N 1 0 321.783 2.907 20 70 DFIDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160902562 426000653 /nfs/dbraw/zinc/00/06/53/426000653.db2.gz RFDUFGBWAFMYJN-OAHLLOKOSA-N 1 0 317.433 2.551 20 70 DFIDRO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000160904882 426000808 /nfs/dbraw/zinc/00/08/08/426000808.db2.gz BAVMPFJMKHDKAX-ATZDWAIDSA-N 1 0 308.425 2.961 20 70 DFIDRO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC000160921166 426001741 /nfs/dbraw/zinc/00/17/41/426001741.db2.gz PUFVIDUAAVXLRP-OAHLLOKOSA-N 1 0 310.482 2.506 20 70 DFIDRO c1nc2ccccn2c1CN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000160956636 426002555 /nfs/dbraw/zinc/00/25/55/426002555.db2.gz NNHXLVOZHBIWTE-JZXOWHBKSA-N 1 0 310.445 2.641 20 70 DFIDRO O=C([C@H]1CCC[NH2+]C1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000161011033 426004999 /nfs/dbraw/zinc/00/49/99/426004999.db2.gz KEZKBHASSLXLFS-ZFWWWQNUSA-N 1 0 324.877 2.956 20 70 DFIDRO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc(C)c1OC(F)F ZINC000159436743 425960568 /nfs/dbraw/zinc/96/05/68/425960568.db2.gz SGUVYUCACUVWFP-OKILXGFUSA-N 1 0 324.371 2.871 20 70 DFIDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000159454269 425961030 /nfs/dbraw/zinc/96/10/30/425961030.db2.gz JBLDMXWNOOBQAF-TUKIKUTGSA-N 1 0 310.825 2.674 20 70 DFIDRO c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159504475 425961743 /nfs/dbraw/zinc/96/17/43/425961743.db2.gz JPOJIAWTBPEHTH-JQHSSLGASA-N 1 0 313.445 2.729 20 70 DFIDRO COc1cc(C2(C(=O)NCC3([NH3+])CCCCC3)CC2)ccc1C ZINC000159576372 425962841 /nfs/dbraw/zinc/96/28/41/425962841.db2.gz IKQNZAQKBRCHTA-UHFFFAOYSA-N 1 0 316.445 2.813 20 70 DFIDRO COCCC1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000159595474 425963441 /nfs/dbraw/zinc/96/34/41/425963441.db2.gz IAIXHWVRJVMKGE-UHFFFAOYSA-N 1 0 322.493 2.918 20 70 DFIDRO O=C(Nc1cc(F)ccc1SCC(F)F)[C@@]1(F)CC[NH2+]C1 ZINC000159593638 425963571 /nfs/dbraw/zinc/96/35/71/425963571.db2.gz VEUMXVHQEJGGKI-CYBMUJFWSA-N 1 0 322.327 2.823 20 70 DFIDRO CCCCOc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000159622534 425963914 /nfs/dbraw/zinc/96/39/14/425963914.db2.gz LBHIOYJPFRWPRA-GOEBONIOSA-N 1 0 304.434 2.951 20 70 DFIDRO C[NH+]1CCC(C(=O)NC[C@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000159636399 425964562 /nfs/dbraw/zinc/96/45/62/425964562.db2.gz PBNYKEWXJCFIRL-XLIONFOSSA-N 1 0 312.457 2.739 20 70 DFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1noc2c1CCCC2 ZINC000159662025 425965747 /nfs/dbraw/zinc/96/57/47/425965747.db2.gz YFBUKGDSJSOFOI-UHFFFAOYSA-N 1 0 305.422 2.596 20 70 DFIDRO COc1ccc2oc(C[N@@H+]3C[C@@H](C(N)=O)CC[C@H]3C)cc2c1 ZINC000159703857 425965952 /nfs/dbraw/zinc/96/59/52/425965952.db2.gz CJAPJXDYHDGSMQ-NEPJUHHUSA-N 1 0 302.374 2.527 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccccc2Cl)CC1 ZINC000159775423 425967701 /nfs/dbraw/zinc/96/77/01/425967701.db2.gz OLWWUMGEJRRMKA-UHFFFAOYSA-N 1 0 309.841 2.620 20 70 DFIDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159764557 425968293 /nfs/dbraw/zinc/96/82/93/425968293.db2.gz XHXOXOZQGSKMQR-SJORKVTESA-N 1 0 324.509 2.897 20 70 DFIDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000159936098 425970435 /nfs/dbraw/zinc/97/04/35/425970435.db2.gz AFQJSCMSQUUIGH-JSGCOSHPSA-N 1 0 311.447 2.698 20 70 DFIDRO C[N@H+](CC#Cc1ccc(F)cc1)C[C@@H]1CCCN1c1cccnn1 ZINC000159895665 425970457 /nfs/dbraw/zinc/97/04/57/425970457.db2.gz PSJXOUNCJLDQCS-SFHVURJKSA-N 1 0 324.403 2.568 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)C[C@H](O)COCc1ccco1 ZINC000159950735 425971119 /nfs/dbraw/zinc/97/11/19/425971119.db2.gz KNWGDZYRSATWRI-AWEZNQCLSA-N 1 0 324.446 2.567 20 70 DFIDRO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000159973679 425971154 /nfs/dbraw/zinc/97/11/54/425971154.db2.gz FTHGUUOVPMEDIE-ZACQAIPSSA-N 1 0 308.466 2.526 20 70 DFIDRO CC(C)c1ccc(CC2CC[NH+](CC(=O)NCC#N)CC2)cc1 ZINC000159950743 425971206 /nfs/dbraw/zinc/97/12/06/425971206.db2.gz ZALGRBAGQLLWOR-UHFFFAOYSA-N 1 0 313.445 2.704 20 70 DFIDRO Cc1ccc(Oc2ccc(OCC(=O)NCCC[NH3+])cc2)cc1 ZINC000159993487 425971654 /nfs/dbraw/zinc/97/16/54/425971654.db2.gz DOYBLJAAOZBRJE-UHFFFAOYSA-N 1 0 314.385 2.631 20 70 DFIDRO Cc1cc(C#N)ccc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000160004678 425973565 /nfs/dbraw/zinc/97/35/65/425973565.db2.gz UCHQKQGDZLTBPS-SFHVURJKSA-N 1 0 307.397 2.899 20 70 DFIDRO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NCCC[NH3+] ZINC000160082850 425974126 /nfs/dbraw/zinc/97/41/26/425974126.db2.gz QBZPGBPJPRBBKG-UHFFFAOYSA-N 1 0 303.431 2.814 20 70 DFIDRO Cc1cc(C)cc(-c2nnc(NC(=O)[C@H]3CCC[NH2+]C3)s2)c1 ZINC000160117666 425975448 /nfs/dbraw/zinc/97/54/48/425975448.db2.gz ZFRYBJQAQAAZSF-LBPRGKRZSA-N 1 0 316.430 2.760 20 70 DFIDRO O=C(NCCCO[C@H]1CCCc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000160123463 425975689 /nfs/dbraw/zinc/97/56/89/425975689.db2.gz RBFWDJWNWYUIIO-ROUUACIJSA-N 1 0 316.445 2.729 20 70 DFIDRO CCCCN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@@H](C)c1ccccc1 ZINC000160183587 425976642 /nfs/dbraw/zinc/97/66/42/425976642.db2.gz CNONZTPSPBQCFV-DOTOQJQBSA-N 1 0 304.434 2.755 20 70 DFIDRO CC[C@H]([NH2+][C@H](CCO)CSC)c1ccc2c(c1)OCCO2 ZINC000160226968 425977666 /nfs/dbraw/zinc/97/76/66/425977666.db2.gz AAEQLMMGGLINOC-KGLIPLIRSA-N 1 0 311.447 2.613 20 70 DFIDRO C[C@H]1C[C@@H](NC(=O)N(C)C2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000160332915 425978865 /nfs/dbraw/zinc/97/88/65/425978865.db2.gz ZUMWYEQMOMVZMY-GOEBONIOSA-N 1 0 301.434 2.843 20 70 DFIDRO COc1cccc(CCC[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1 ZINC000160328442 425979213 /nfs/dbraw/zinc/97/92/13/425979213.db2.gz DHYAXRFSEOBLDP-MRXNPFEDSA-N 1 0 304.434 2.605 20 70 DFIDRO CC[C@H](C(=O)N1CCO[C@H](c2ccc(C)cc2C)C1)[NH+](C)C ZINC000161385391 426022437 /nfs/dbraw/zinc/02/24/37/426022437.db2.gz NOXCEBVPYMWVIP-SJORKVTESA-N 1 0 304.434 2.544 20 70 DFIDRO COC(=O)CCC1CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC000161444065 426024618 /nfs/dbraw/zinc/02/46/18/426024618.db2.gz UNYIEBZMUVGJOY-UHFFFAOYSA-N 1 0 315.417 2.808 20 70 DFIDRO CN(C(=O)CCOc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161475100 426025387 /nfs/dbraw/zinc/02/53/87/426025387.db2.gz RYEVEPIYTUCUEK-PBWFPOADSA-N 1 0 322.836 2.850 20 70 DFIDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2N2CCOCC2)C(C)(C)O1 ZINC000161470687 426025621 /nfs/dbraw/zinc/02/56/21/426025621.db2.gz CQSWPUNYAOOZFS-QGZVFWFLSA-N 1 0 318.461 2.959 20 70 DFIDRO CS[C@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000161500083 426026054 /nfs/dbraw/zinc/02/60/54/426026054.db2.gz QGPFYPRYBDITSO-CYBMUJFWSA-N 1 0 312.454 2.858 20 70 DFIDRO COc1cccc(F)c1[C@H](C)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161052373 426006572 /nfs/dbraw/zinc/00/65/72/426006572.db2.gz MGSLEAJAAJTARP-FUDCBSFHSA-N 1 0 320.408 2.932 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)C(C)(C)c2ccccc2F)CC1 ZINC000161070153 426008185 /nfs/dbraw/zinc/00/81/85/426008185.db2.gz OTDKDYYNPBWUHD-UHFFFAOYSA-N 1 0 306.425 2.951 20 70 DFIDRO O=C([C@H]1C[C@@H]1c1cc(F)ccc1F)N1CC[NH+](CC2CC2)CC1 ZINC000161130801 426009538 /nfs/dbraw/zinc/00/95/38/426009538.db2.gz VGFPXLRDRORLLY-ZBFHGGJFSA-N 1 0 320.383 2.623 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000161137688 426010289 /nfs/dbraw/zinc/01/02/89/426010289.db2.gz ZPJAFENRHPKLHF-UHFFFAOYSA-N 1 0 304.409 2.705 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)c2sccc2OC(F)F)CC1 ZINC000161147697 426010464 /nfs/dbraw/zinc/01/04/64/426010464.db2.gz SAAVHBUYGNALCF-UHFFFAOYSA-N 1 0 318.389 2.811 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000161153267 426011746 /nfs/dbraw/zinc/01/17/46/426011746.db2.gz CNKCZUBTFACNBY-PRHODGIISA-N 1 0 304.818 2.737 20 70 DFIDRO CCc1ncc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000161183019 426012389 /nfs/dbraw/zinc/01/23/89/426012389.db2.gz VZNMKZFHPKSCJW-UHFFFAOYSA-N 1 0 317.437 2.568 20 70 DFIDRO CCC[N@H+](CCO)Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000161199925 426012962 /nfs/dbraw/zinc/01/29/62/426012962.db2.gz SYADIGAWLFNIAN-UHFFFAOYSA-N 1 0 301.814 2.952 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000161245669 426014504 /nfs/dbraw/zinc/01/45/04/426014504.db2.gz OZMCFKKGSZPQLA-LLVKDONJSA-N 1 0 311.223 2.711 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161248065 426014782 /nfs/dbraw/zinc/01/47/82/426014782.db2.gz GEKRJNOPTLMHTE-NJZAAPMLSA-N 1 0 310.438 2.611 20 70 DFIDRO C=CCN(C)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000161260784 426016041 /nfs/dbraw/zinc/01/60/41/426016041.db2.gz AHOGQVZHZLTCKP-KRWDZBQOSA-N 1 0 317.433 2.660 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(OCCC(C)C)cc1 ZINC000161274809 426016464 /nfs/dbraw/zinc/01/64/64/426016464.db2.gz YAAXUFYVUXQLSJ-MRXNPFEDSA-N 1 0 304.434 2.936 20 70 DFIDRO C[NH2+]C[C@H](C)C(=O)NCc1ccc(-c2ccc(OC)cc2)cc1 ZINC000161265849 426016498 /nfs/dbraw/zinc/01/64/98/426016498.db2.gz RJMSTXVUNHUFJQ-AWEZNQCLSA-N 1 0 312.413 2.834 20 70 DFIDRO CCn1cc(C2CCN(CCC[NH+]3CCCCC3)CC2)cn1 ZINC000161310979 426018100 /nfs/dbraw/zinc/01/81/00/426018100.db2.gz GBRZIARBVFNQJL-UHFFFAOYSA-N 1 0 304.482 2.958 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@H](C2CCCCC2)N(C)C)CC1 ZINC000161302508 426018681 /nfs/dbraw/zinc/01/86/81/426018681.db2.gz OIKTWWYMEZHBGT-DAWZGUTISA-N 1 0 309.498 2.534 20 70 DFIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161335243 426019702 /nfs/dbraw/zinc/01/97/02/426019702.db2.gz KJGLSAISLITAJL-PEYYIBSZSA-N 1 0 320.383 2.669 20 70 DFIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000161335471 426019864 /nfs/dbraw/zinc/01/98/64/426019864.db2.gz KJGLSAISLITAJL-SGIREYDYSA-N 1 0 320.383 2.669 20 70 DFIDRO COCCC1(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000161339981 426020045 /nfs/dbraw/zinc/02/00/45/426020045.db2.gz HGTYJWDOMQXVAW-OAHLLOKOSA-N 1 0 320.433 2.658 20 70 DFIDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000161350962 426020829 /nfs/dbraw/zinc/02/08/29/426020829.db2.gz ZJJGRKLKJQTAFM-SFYZADRCSA-N 1 0 303.175 2.503 20 70 DFIDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000161397824 426021847 /nfs/dbraw/zinc/02/18/47/426021847.db2.gz UMCNATCAEZNPCV-ZIAGYGMSSA-N 1 0 308.447 2.570 20 70 DFIDRO CCc1ccc([C@H](CNC(=O)[C@H]2CCCCO2)[NH+](C)C)cc1 ZINC000161395963 426022085 /nfs/dbraw/zinc/02/20/85/426022085.db2.gz QJPBJEBPDDIRLF-DLBZAZTESA-N 1 0 304.434 2.537 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCCOc1ccccc1Cl ZINC000161378732 426022325 /nfs/dbraw/zinc/02/23/25/426022325.db2.gz BGLHLIGEBIYNFL-CYBMUJFWSA-N 1 0 310.825 2.709 20 70 DFIDRO Cc1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1Br ZINC000218095692 426566485 /nfs/dbraw/zinc/56/64/85/426566485.db2.gz MYTVGUFSMCUJOY-SNVBAGLBSA-N 1 0 312.129 2.770 20 70 DFIDRO C[C@H]([NH2+]Cc1ncc[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249109 426568330 /nfs/dbraw/zinc/56/83/30/426568330.db2.gz LGUUGDGPLJCSKU-QWHCGFSZSA-N 1 0 308.426 2.535 20 70 DFIDRO CSCCN(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160410788 274175694 /nfs/dbraw/zinc/17/56/94/274175694.db2.gz LETPQNJPWVUDDY-ZBFHGGJFSA-N 1 0 321.490 2.654 20 70 DFIDRO c1ccc(N2CC[C@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000161278514 275067738 /nfs/dbraw/zinc/06/77/38/275067738.db2.gz GQVIMOWDXAHIMB-MRXNPFEDSA-N 1 0 316.445 2.788 20 70 DFIDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160524618 277948492 /nfs/dbraw/zinc/94/84/92/277948492.db2.gz DDMMZHIDUAGRGQ-PBHICJAKSA-N 1 0 312.417 2.577 20 70 DFIDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCOC1 ZINC000160137603 278368996 /nfs/dbraw/zinc/36/89/96/278368996.db2.gz UOACFXBFYYPYPH-VNQPRFMTSA-N 1 0 317.408 2.681 20 70 DFIDRO CC[NH+](CC)[C@@H](CNC(=O)C1(CCOC)CC1)c1ccco1 ZINC000161037419 279145659 /nfs/dbraw/zinc/14/56/59/279145659.db2.gz CBPNORMGLDYSQS-AWEZNQCLSA-N 1 0 308.422 2.595 20 70 DFIDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000159498893 280116627 /nfs/dbraw/zinc/11/66/27/280116627.db2.gz CFKNETXCCHXZBR-HTQZYQBOSA-N 1 0 320.277 2.703 20 70 DFIDRO Cc1ccc([C@H]2CSCCN2C(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000160771537 281004185 /nfs/dbraw/zinc/00/41/85/281004185.db2.gz HZMPTELKRVDTRR-JKSUJKDBSA-N 1 0 304.459 2.611 20 70 DFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000159610162 295379184 /nfs/dbraw/zinc/37/91/84/295379184.db2.gz DNCHNHNPWFIMKM-KSSFIOAISA-N 1 0 309.413 2.834 20 70 DFIDRO C[C@@H]1CCC[C@](CNC(=O)NCc2ncccc2F)([NH+](C)C)C1 ZINC000159724210 295380707 /nfs/dbraw/zinc/38/07/07/295380707.db2.gz NWIWIQHECCPBIB-DYVFJYSZSA-N 1 0 322.428 2.530 20 70 DFIDRO Cc1nc2ccccn2c1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000159894394 295383571 /nfs/dbraw/zinc/38/35/71/295383571.db2.gz ZTAXGURNMQRLKO-UHFFFAOYSA-N 1 0 322.416 2.509 20 70 DFIDRO C[NH+](C)C[C@@H]1CN(Cc2ncc(-c3ccccc3)s2)CCO1 ZINC000160014028 295385139 /nfs/dbraw/zinc/38/51/39/295385139.db2.gz ZCWYMKCDCLHKIX-OAHLLOKOSA-N 1 0 317.458 2.573 20 70 DFIDRO C[NH+](C)CCOc1ccccc1C(=O)NCCC1=CCCC1 ZINC000160227735 295388469 /nfs/dbraw/zinc/38/84/69/295388469.db2.gz IZAFEOFRZZYLFN-UHFFFAOYSA-N 1 0 302.418 2.857 20 70 DFIDRO CCCN(CC[NH+](C)C)C(=O)C1(c2ccc(C)c(OC)c2)CC1 ZINC000160352385 295390105 /nfs/dbraw/zinc/39/01/05/295390105.db2.gz JOTWNGJRMTVATN-UHFFFAOYSA-N 1 0 318.461 2.835 20 70 DFIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000160416299 295390641 /nfs/dbraw/zinc/39/06/41/295390641.db2.gz VQCIDCFLAMKIPS-NVXWUHKLSA-N 1 0 311.514 2.734 20 70 DFIDRO N#Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000160530333 295392637 /nfs/dbraw/zinc/39/26/37/295392637.db2.gz LTQPDSFDFBWUBR-AWEZNQCLSA-N 1 0 303.793 2.522 20 70 DFIDRO Cc1cccc2[nH]c(CNC(=O)[C@@H](c3ccccc3)N(C)C)nc21 ZINC000160577917 295392917 /nfs/dbraw/zinc/39/29/17/295392917.db2.gz ULMBZSIXXVECFS-GOSISDBHSA-N 1 0 322.412 2.790 20 70 DFIDRO COc1ccc(OC)c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160563883 295393157 /nfs/dbraw/zinc/39/31/57/295393157.db2.gz RASXVGFSCRWGCG-CQSZACIVSA-N 1 0 320.433 2.554 20 70 DFIDRO Cc1cc(C)cc(CCNC(=O)[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000160592765 295393441 /nfs/dbraw/zinc/39/34/41/295393441.db2.gz KMUJKIPQYHGWGR-IBGZPJMESA-N 1 0 308.425 2.849 20 70 DFIDRO CC(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000160792913 295395439 /nfs/dbraw/zinc/39/54/39/295395439.db2.gz CSPWTQSCVXCDCL-JSGCOSHPSA-N 1 0 308.388 2.664 20 70 DFIDRO Cc1ccc(C)c([C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1 ZINC000160854412 295395839 /nfs/dbraw/zinc/39/58/39/295395839.db2.gz GOPKWTPNBOHQGJ-OAHLLOKOSA-N 1 0 324.490 2.626 20 70 DFIDRO Cc1nn(C)cc1C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000161035014 295397653 /nfs/dbraw/zinc/39/76/53/295397653.db2.gz XSTWJCIDQFKZSA-ZDUSSCGKSA-N 1 0 312.417 2.706 20 70 DFIDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1OCC[C@@H]1C ZINC000161036606 295397659 /nfs/dbraw/zinc/39/76/59/295397659.db2.gz ALDXCADOVSAFEK-GOEBONIOSA-N 1 0 324.490 2.844 20 70 DFIDRO CCc1nc(CNC(C)(C)C[N@H+](C)Cc2ccccc2)no1 ZINC000161052688 295398288 /nfs/dbraw/zinc/39/82/88/295398288.db2.gz XVBVVEVELAYKRB-UHFFFAOYSA-N 1 0 302.422 2.632 20 70 DFIDRO CN(C(=O)C[C@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2)cc1 ZINC000161083091 295398464 /nfs/dbraw/zinc/39/84/64/295398464.db2.gz DKFKOAUSDZAPHG-SFHVURJKSA-N 1 0 310.397 2.695 20 70 DFIDRO C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2cncn2)cc1 ZINC000161133232 295398920 /nfs/dbraw/zinc/39/89/20/295398920.db2.gz RFQHRFIGCPXMIM-ZVZYQTTQSA-N 1 0 313.449 2.791 20 70 DFIDRO CC[C@@H](NC(=O)NCCC[NH+](CC)CC)c1c(C)noc1C ZINC000161134677 295399094 /nfs/dbraw/zinc/39/90/94/295399094.db2.gz SANWGOFSGQKIFA-CQSZACIVSA-N 1 0 310.442 2.774 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000161244099 295400538 /nfs/dbraw/zinc/40/05/38/295400538.db2.gz XWZJPNRBTGSEIT-CHWSQXEVSA-N 1 0 311.223 2.757 20 70 DFIDRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCOCC1 ZINC000161263655 295400728 /nfs/dbraw/zinc/40/07/28/295400728.db2.gz VYTCMYYKWIGRKL-AWEZNQCLSA-N 1 0 300.443 2.694 20 70 DFIDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)ncn1)c1ccccc1 ZINC000161408064 295402277 /nfs/dbraw/zinc/40/22/77/295402277.db2.gz ZTRJWMMHFPMFHE-QGZVFWFLSA-N 1 0 312.417 2.598 20 70 DFIDRO Cc1ccc([C@H]2CSCCN2C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000160771277 301833997 /nfs/dbraw/zinc/83/39/97/301833997.db2.gz HZMPTELKRVDTRR-HZPDHXFCSA-N 1 0 304.459 2.611 20 70 DFIDRO N#CCC[C@@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000160719147 332888782 /nfs/dbraw/zinc/88/87/82/332888782.db2.gz MAQVBIWHLOEBSW-ZWKOTPCHSA-N 1 0 324.428 2.687 20 70 DFIDRO Cc1cccc(C)c1CC[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000160609128 500981514 /nfs/dbraw/zinc/98/15/14/500981514.db2.gz RCBABKINYJQRJF-QGZVFWFLSA-N 1 0 300.377 2.801 20 70 DFIDRO OCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161196216 518203240 /nfs/dbraw/zinc/20/32/40/518203240.db2.gz RLJXQCCMTLCPMG-KBPBESRZSA-N 1 0 303.324 2.586 20 70 DFIDRO Cn1ncc2c1CCC[C@@H]2NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000160421308 522029585 /nfs/dbraw/zinc/02/95/85/522029585.db2.gz URAPCYGQJFANEX-WMZOPIPTSA-N 1 0 304.482 2.898 20 70 DFIDRO CC[C@@H](C)OCC(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000159454744 522246023 /nfs/dbraw/zinc/24/60/23/522246023.db2.gz NRYHXASCAURLLG-CQSZACIVSA-N 1 0 322.424 2.721 20 70 DFIDRO CC[C@H]([NH3+])CNC(=O)c1cccc(Br)c1Cl ZINC000160410679 522330013 /nfs/dbraw/zinc/33/00/13/522330013.db2.gz SXLXNRCBAREJEE-ZETCQYMHSA-N 1 0 305.603 2.570 20 70 DFIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000161419992 523042307 /nfs/dbraw/zinc/04/23/07/523042307.db2.gz PKWZKCPOBSDUEQ-HOCLYGCPSA-N 1 0 310.463 2.523 20 70 DFIDRO CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159905698 523885136 /nfs/dbraw/zinc/88/51/36/523885136.db2.gz AUDABVYJXGWGGP-LBPRGKRZSA-N 1 0 301.312 2.906 20 70 DFIDRO Cc1ccc(Cc2nc(C(=O)NCCC[NH+](C)C)cs2)cc1 ZINC000160558351 524692782 /nfs/dbraw/zinc/69/27/82/524692782.db2.gz LXOSUDJPDKHFOK-UHFFFAOYSA-N 1 0 317.458 2.724 20 70 DFIDRO Cc1cccc2c(CCC(=O)NC[C@@H](C3CC3)[NH+](C)C)c[nH]c21 ZINC000161156452 524935977 /nfs/dbraw/zinc/93/59/77/524935977.db2.gz VGXNLSYXZLNYFC-KRWDZBQOSA-N 1 0 313.445 2.865 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000160309972 525583975 /nfs/dbraw/zinc/58/39/75/525583975.db2.gz RBWUBYKMUDKSJP-NSHDSACASA-N 1 0 306.353 2.810 20 70 DFIDRO O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[NH+]2CCC1CC2 ZINC000218299522 398345655 /nfs/dbraw/zinc/34/56/55/398345655.db2.gz ADZQCCBCADLDHM-UHFFFAOYSA-N 1 0 313.228 2.843 20 70 DFIDRO C[N@@H+](CC(=O)Nc1cccc2ccccc21)C[C@@H]1CCC[C@@H]1O ZINC000159532414 186125346 /nfs/dbraw/zinc/12/53/46/186125346.db2.gz LXNIHTZQZUXLED-YJBOKZPZSA-N 1 0 312.413 2.871 20 70 DFIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc2[nH]cnc21 ZINC000159531342 186125587 /nfs/dbraw/zinc/12/55/87/186125587.db2.gz DJQAFDHGCKYWHU-CYBMUJFWSA-N 1 0 300.406 2.557 20 70 DFIDRO COCCOc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159574337 186128494 /nfs/dbraw/zinc/12/84/94/186128494.db2.gz ZNKVFLFUSNNCSA-SQNIBIBYSA-N 1 0 317.429 2.759 20 70 DFIDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000159588917 186128817 /nfs/dbraw/zinc/12/88/17/186128817.db2.gz BVRYZDPIBVEMKC-WQVCFCJDSA-N 1 0 318.373 2.651 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](COC)C(C)C)cc1 ZINC000159661692 186133352 /nfs/dbraw/zinc/13/33/52/186133352.db2.gz OWKSNJVEUOVAMN-XJKSGUPXSA-N 1 0 313.463 2.802 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](COC)C(C)C)cc1 ZINC000159661403 186133406 /nfs/dbraw/zinc/13/34/06/186133406.db2.gz OWKSNJVEUOVAMN-BBRMVZONSA-N 1 0 313.463 2.802 20 70 DFIDRO CC[C@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1ccc(F)cc1F ZINC000159726635 186137841 /nfs/dbraw/zinc/13/78/41/186137841.db2.gz UHFXBIMMHDKNDJ-APMVIUAVSA-N 1 0 308.372 2.906 20 70 DFIDRO FC(F)(F)c1ccnc(N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000160453752 282929268 /nfs/dbraw/zinc/92/92/68/282929268.db2.gz QQJWGCDEVQESMS-GFCCVEGCSA-N 1 0 314.355 2.950 20 70 DFIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1F ZINC000159769195 398965934 /nfs/dbraw/zinc/96/59/34/398965934.db2.gz YAMNDOFIERWYBU-HOCLYGCPSA-N 1 0 306.425 2.995 20 70 DFIDRO C[C@H]1SCCN(C(=O)C2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000161182826 291254396 /nfs/dbraw/zinc/25/43/96/291254396.db2.gz NMAOSICJJWLCEF-CJNGLKHVSA-N 1 0 304.459 2.691 20 70 DFIDRO CCOCC[N@@H+]1CCN(CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000159925244 398968014 /nfs/dbraw/zinc/96/80/14/398968014.db2.gz UPLCFVUSABFBPI-INIZCTEOSA-N 1 0 320.864 2.734 20 70 DFIDRO CCOCCC[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000160386133 398970360 /nfs/dbraw/zinc/97/03/60/398970360.db2.gz DKAJHDURECBUIS-UHFFFAOYSA-N 1 0 308.422 2.517 20 70 DFIDRO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160761613 398972853 /nfs/dbraw/zinc/97/28/53/398972853.db2.gz MVKFYZSQOREWMV-GOSISDBHSA-N 1 0 313.445 2.869 20 70 DFIDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000161500856 197499724 /nfs/dbraw/zinc/49/97/24/197499724.db2.gz AJPWBHYPWXYYAA-WMLDXEAASA-N 1 0 313.397 2.885 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000161235820 197477062 /nfs/dbraw/zinc/47/70/62/197477062.db2.gz ABOVQAUMBOFGDL-HNNXBMFYSA-N 1 0 315.442 2.943 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)COc2ccc(Cl)cc2C)CC1 ZINC000160992074 197455568 /nfs/dbraw/zinc/45/55/68/197455568.db2.gz CHOPXOWGNUDOGO-UHFFFAOYSA-N 1 0 324.852 2.875 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000160507864 197417098 /nfs/dbraw/zinc/41/70/98/197417098.db2.gz OADAZBBGNZNOEY-UHFFFAOYSA-N 1 0 311.407 2.564 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)C[C@@H](C)Cc1ccccc1OC ZINC000160420307 197409737 /nfs/dbraw/zinc/40/97/37/197409737.db2.gz ZVRNNYQVFFGQCH-AWEZNQCLSA-N 1 0 306.450 2.898 20 70 DFIDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cn2c(cccc2C)n1 ZINC000160318205 197399820 /nfs/dbraw/zinc/39/98/20/197399820.db2.gz ITKPTOWHEMKJOO-QGZVFWFLSA-N 1 0 309.413 2.990 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCSc3ccc(F)cc31)CC2 ZINC000160301644 197399347 /nfs/dbraw/zinc/39/93/47/197399347.db2.gz UARLLJPOBKSWQP-OCCSQVGLSA-N 1 0 318.421 2.867 20 70 DFIDRO CC(C)(CO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160308134 197399071 /nfs/dbraw/zinc/39/90/71/197399071.db2.gz SPEJEDPLGJQPKQ-UHFFFAOYSA-N 1 0 309.207 2.858 20 70 DFIDRO C[C@@H](CNC(=O)[C@H](O)c1ccccc1Cl)C[NH+]1CCCCC1 ZINC000160264279 197396765 /nfs/dbraw/zinc/39/67/65/197396765.db2.gz AYOZVSXHMDVTBI-XJKSGUPXSA-N 1 0 324.852 2.612 20 70 DFIDRO C[C@H](CNC(=O)[C@H](O)c1ccccc1Cl)C[NH+]1CCCCC1 ZINC000160264391 197396416 /nfs/dbraw/zinc/39/64/16/197396416.db2.gz AYOZVSXHMDVTBI-CZUORRHYSA-N 1 0 324.852 2.612 20 70 DFIDRO CCc1c(C(=O)NC2CC[NH+](C(C)C)CC2)cnn1CC(C)C ZINC000160242470 197395041 /nfs/dbraw/zinc/39/50/41/197395041.db2.gz ALOOYDPMPUORTR-UHFFFAOYSA-N 1 0 320.481 2.704 20 70 DFIDRO CCCCn1ncc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000160256050 197395506 /nfs/dbraw/zinc/39/55/06/197395506.db2.gz MCAKRNLNZYFENG-UKRRQHHQSA-N 1 0 321.469 2.938 20 70 DFIDRO COc1ccc2cc([C@H](C)C(=O)N3CCC[C@@H]3C[NH3+])ccc2c1 ZINC000160193212 197392267 /nfs/dbraw/zinc/39/22/67/197392267.db2.gz KKEGMRPZUOHLKV-SUMWQHHRSA-N 1 0 312.413 2.902 20 70 DFIDRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160170670 197390465 /nfs/dbraw/zinc/39/04/65/197390465.db2.gz UFAKEZVHNDCUQR-ZJUUUORDSA-N 1 0 317.216 2.710 20 70 DFIDRO [NH3+]CCCNC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000160066632 197383628 /nfs/dbraw/zinc/38/36/28/197383628.db2.gz RYZJBSLEBPLPBY-RBUKOAKNSA-N 1 0 324.424 2.834 20 70 DFIDRO [NH3+]CCCNC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000160066358 197383438 /nfs/dbraw/zinc/38/34/38/197383438.db2.gz RYZJBSLEBPLPBY-OALUTQOASA-N 1 0 324.424 2.834 20 70 DFIDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000160138078 197388729 /nfs/dbraw/zinc/38/87/29/197388729.db2.gz XCIHXAQXORLAQW-MRXNPFEDSA-N 1 0 322.474 2.634 20 70 DFIDRO CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)c2ccc(F)cc2F)C1 ZINC000160121466 197387559 /nfs/dbraw/zinc/38/75/59/197387559.db2.gz MFDUDYKMVSICNN-OLZOCXBDSA-N 1 0 310.388 2.916 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)CC1 ZINC000159910972 197372766 /nfs/dbraw/zinc/37/27/66/197372766.db2.gz VCHFGHPHTMBBKV-CQSZACIVSA-N 1 0 322.478 2.640 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCC2(c3cccc(F)c3)CC2)CC1 ZINC000159890829 197371890 /nfs/dbraw/zinc/37/18/90/197371890.db2.gz BKMPSWKIBVAHQO-UHFFFAOYSA-N 1 0 319.424 2.595 20 70 DFIDRO C[C@H](CCNC(=O)c1ccc(C#N)[nH]1)[N@H+](C)Cc1ccccc1 ZINC000159820915 197367650 /nfs/dbraw/zinc/36/76/50/197367650.db2.gz RNJJNFBSVBBACN-CQSZACIVSA-N 1 0 310.401 2.527 20 70 DFIDRO Cc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000159827505 197367571 /nfs/dbraw/zinc/36/75/71/197367571.db2.gz OGIDIMUOCGHUFJ-UHFFFAOYSA-N 1 0 317.389 2.507 20 70 DFIDRO C[N@@H+](CCc1ccc(Br)cc1)CCn1ccnc1 ZINC000159812906 197366552 /nfs/dbraw/zinc/36/65/52/197366552.db2.gz SKQPNJQVHIGGEC-UHFFFAOYSA-N 1 0 308.223 2.820 20 70 DFIDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000159560837 197361283 /nfs/dbraw/zinc/36/12/83/197361283.db2.gz WIJUSUYHXRQEDM-XYPHTWIQSA-N 1 0 303.402 2.751 20 70 DFIDRO CC(=O)c1cnc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)s1 ZINC000159507242 197359044 /nfs/dbraw/zinc/35/90/44/197359044.db2.gz KUSZRFQVAOLQRF-TVQRCGJNSA-N 1 0 303.387 2.620 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000159505621 197358543 /nfs/dbraw/zinc/35/85/43/197358543.db2.gz UOKHWSTVOUPLQM-LBPRGKRZSA-N 1 0 311.376 2.763 20 70 DFIDRO COCCc1ccc(Oc2ccc(NC(=O)[C@@H](C)[NH3+])cc2)cc1 ZINC000159440154 197353737 /nfs/dbraw/zinc/35/37/37/197353737.db2.gz QWRZDNRCKPSKKW-CYBMUJFWSA-N 1 0 314.385 2.954 20 70 DFIDRO CCN(CC[NH2+][C@@H](C)c1cnn(CC)c1)C(=O)OC(C)(C)C ZINC000159475348 197356838 /nfs/dbraw/zinc/35/68/38/197356838.db2.gz VQCYYXHPKBVNBI-ZDUSSCGKSA-N 1 0 310.442 2.811 20 70 DFIDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000159414636 197351819 /nfs/dbraw/zinc/35/18/19/197351819.db2.gz ACWBVPVPBMXJHO-NSHDSACASA-N 1 0 320.355 2.656 20 70 DFIDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000159410629 197351407 /nfs/dbraw/zinc/35/14/07/197351407.db2.gz YEIWGBKXGCEIBG-AWEZNQCLSA-N 1 0 323.400 2.912 20 70 DFIDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000159382789 197349602 /nfs/dbraw/zinc/34/96/02/197349602.db2.gz JRKRPKVHLPQZCD-UHFFFAOYSA-N 1 0 321.402 2.995 20 70 DFIDRO COCCN(C)CC[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000159367672 197348728 /nfs/dbraw/zinc/34/87/28/197348728.db2.gz DZBRWICCKLMTCN-UONOGXRCSA-N 1 0 321.490 2.956 20 70 DFIDRO c1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c2c(c1)OCCCO2 ZINC000159586542 285441788 /nfs/dbraw/zinc/44/17/88/285441788.db2.gz HMNOHFVWYSRRKZ-WBAXXEDZSA-N 1 0 315.413 2.895 20 70 DFIDRO CN(CC(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000159652691 542718520 /nfs/dbraw/zinc/71/85/20/542718520.db2.gz GDENFIPFTQUEGP-UHFFFAOYSA-N 1 0 303.450 2.551 20 70 DFIDRO Cc1noc(C)c1[C@H](C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159679903 542719496 /nfs/dbraw/zinc/71/94/96/542719496.db2.gz AWKRBGWCOVLCPY-LBPRGKRZSA-N 1 0 307.438 2.824 20 70 DFIDRO C[NH+](C)CCCOc1ccc(NC(=O)NC2CC=CC2)cc1 ZINC000160340275 542722619 /nfs/dbraw/zinc/72/26/19/542722619.db2.gz CWZFOOBANSGCIG-UHFFFAOYSA-N 1 0 303.406 2.857 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000161127877 542727300 /nfs/dbraw/zinc/72/73/00/542727300.db2.gz XGYAATDOQPMUON-QGZVFWFLSA-N 1 0 300.446 2.955 20 70 DFIDRO Cc1ccc(Br)c(C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000161244583 542727513 /nfs/dbraw/zinc/72/75/13/542727513.db2.gz WMUOZLAMIINIFM-NSHDSACASA-N 1 0 311.223 2.629 20 70 DFIDRO COc1ccc(SCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161331390 542728622 /nfs/dbraw/zinc/72/86/22/542728622.db2.gz ZMCLYQLBZMJYCA-OLZOCXBDSA-N 1 0 308.447 2.564 20 70 DFIDRO COc1ccc(SCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161331277 542728956 /nfs/dbraw/zinc/72/89/56/542728956.db2.gz ZMCLYQLBZMJYCA-CHWSQXEVSA-N 1 0 308.447 2.564 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCCOc2ccc(Cl)cc2)C1 ZINC000161302714 542728982 /nfs/dbraw/zinc/72/89/82/542728982.db2.gz TVWNKIBKPZGDCW-ZIAGYGMSSA-N 1 0 310.825 2.885 20 70 DFIDRO Cc1cccc(OCCCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161485940 542729656 /nfs/dbraw/zinc/72/96/56/542729656.db2.gz YDYNHHWIXQWQSW-HZPDHXFCSA-N 1 0 304.434 2.930 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2csc(-c3ccc(F)cc3)n2)C1 ZINC000161433806 542729689 /nfs/dbraw/zinc/72/96/89/542729689.db2.gz GUJWRLCCKJQFAZ-OLZOCXBDSA-N 1 0 319.405 2.949 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2csc(-c3ccc(F)cc3)n2)C1 ZINC000161433676 542729954 /nfs/dbraw/zinc/72/99/54/542729954.db2.gz GUJWRLCCKJQFAZ-CHWSQXEVSA-N 1 0 319.405 2.949 20 70 DFIDRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160790966 542724399 /nfs/dbraw/zinc/72/43/99/542724399.db2.gz XUGWJANUJURLAE-NHYWBVRUSA-N 1 0 310.825 2.678 20 70 DFIDRO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)C[C@H](O)C1CC1 ZINC000160812993 542725240 /nfs/dbraw/zinc/72/52/40/542725240.db2.gz WFOKBBBOMRHPCO-UGSOOPFHSA-N 1 0 312.413 2.870 20 70 DFIDRO Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161010354 542725939 /nfs/dbraw/zinc/72/59/39/542725939.db2.gz KALPJYDCDXNTNL-UONOGXRCSA-N 1 0 301.365 2.682 20 70 DFIDRO Cc1nc2cc(F)ccc2cc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161010464 542726303 /nfs/dbraw/zinc/72/63/03/542726303.db2.gz KALPJYDCDXNTNL-KBPBESRZSA-N 1 0 301.365 2.682 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccccc2Oc2cccnc2)C1 ZINC000160999425 542726312 /nfs/dbraw/zinc/72/63/12/542726312.db2.gz XHCPYXOJTRQNHR-KGLIPLIRSA-N 1 0 311.385 2.874 20 70 DFIDRO O=C(CCSc1ccc(F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159566324 145219589 /nfs/dbraw/zinc/21/95/89/145219589.db2.gz UXULEUHSOSFYNB-OKILXGFUSA-N 1 0 308.422 2.661 20 70 DFIDRO COC[C@@H](Cc1ccccc1)[NH2+]CCCc1nc(C(C)C)no1 ZINC000160797627 145221730 /nfs/dbraw/zinc/22/17/30/145221730.db2.gz MZCXEZRTGVEEGF-MRXNPFEDSA-N 1 0 317.433 2.973 20 70 DFIDRO Cc1ccccc1CN1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000218751356 146000311 /nfs/dbraw/zinc/00/03/11/146000311.db2.gz YMYIHFBFXPHHJF-OAQYLSRUSA-N 1 0 324.468 2.716 20 70 DFIDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000159935967 287060375 /nfs/dbraw/zinc/06/03/75/287060375.db2.gz AFQJSCMSQUUIGH-TZMCWYRMSA-N 1 0 311.447 2.698 20 70 DFIDRO CC(C)([NH3+])CNC(=O)C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000160076222 267534091 /nfs/dbraw/zinc/53/40/91/267534091.db2.gz SWAWSWWCPRYJEZ-UHFFFAOYSA-N 1 0 314.351 2.981 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)Cc2cccc3cccnc32)CC1 ZINC000161098890 267543288 /nfs/dbraw/zinc/54/32/88/267543288.db2.gz KVHFIFNINHMINN-UHFFFAOYSA-N 1 0 311.429 2.625 20 70 DFIDRO CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000217740572 268139670 /nfs/dbraw/zinc/13/96/70/268139670.db2.gz QUFXEJHJRMHVTL-MCIONIFRSA-N 1 0 300.443 2.573 20 70 DFIDRO C[C@H](Cn1cccn1)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000218099318 268139750 /nfs/dbraw/zinc/13/97/50/268139750.db2.gz SQDDSJOOJLAHRQ-WLYUNCDWSA-N 1 0 322.453 2.697 20 70 DFIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc2c(c1)CCO2 ZINC000160391471 425981405 /nfs/dbraw/zinc/98/14/05/425981405.db2.gz JXSPSPXJVLBJGO-HOTGVXAUSA-N 1 0 312.417 2.577 20 70 DFIDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160423443 425981865 /nfs/dbraw/zinc/98/18/65/425981865.db2.gz WYQHQRLCQKZOPS-GXTWGEPZSA-N 1 0 300.406 2.569 20 70 DFIDRO CCc1nc2c(s1)[C@@H]([NH2+][C@H]1CCc3nc(C)nn3C1)CCC2 ZINC000160444121 425982858 /nfs/dbraw/zinc/98/28/58/425982858.db2.gz BOOFKMIJHYGRFX-RYUDHWBXSA-N 1 0 317.462 2.587 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(N2CCC(C)CC2)nc1 ZINC000160461835 425983154 /nfs/dbraw/zinc/98/31/54/425983154.db2.gz LVOMBDSOERSEPZ-UHFFFAOYSA-N 1 0 318.465 2.565 20 70 DFIDRO COc1cccc(Cl)c1CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000160495776 425983941 /nfs/dbraw/zinc/98/39/41/425983941.db2.gz GOLSPBSNPWKRDB-QWHCGFSZSA-N 1 0 324.852 2.880 20 70 DFIDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2cccc(F)c2C#N)C[C@H](C)O1 ZINC000160473041 425984088 /nfs/dbraw/zinc/98/40/88/425984088.db2.gz TWELRSXZLYADAD-ZNMIVQPWSA-N 1 0 317.408 2.775 20 70 DFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000160527552 425985124 /nfs/dbraw/zinc/98/51/24/425985124.db2.gz HQFHDAAZRFZWRV-RYUDHWBXSA-N 1 0 317.364 2.567 20 70 DFIDRO CCOC(=O)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000160523395 425985437 /nfs/dbraw/zinc/98/54/37/425985437.db2.gz CGAIITWBIXWANS-WMLDXEAASA-N 1 0 320.433 2.527 20 70 DFIDRO CC[NH+](CC)[C@@H](C(=O)N[C@H](CCO)C(C)C)c1ccccc1 ZINC000160560572 425987110 /nfs/dbraw/zinc/98/71/10/425987110.db2.gz WKEHQSULNOSIJS-IAGOWNOFSA-N 1 0 306.450 2.593 20 70 DFIDRO COc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000160557061 425987527 /nfs/dbraw/zinc/98/75/27/425987527.db2.gz SNIFHQDGQHRVOY-GFCCVEGCSA-N 1 0 324.377 2.659 20 70 DFIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](CC)c2cnn(C)c2)c1 ZINC000160563996 425987954 /nfs/dbraw/zinc/98/79/54/425987954.db2.gz VWKAOPXEWJXWSS-QGZVFWFLSA-N 1 0 314.433 2.801 20 70 DFIDRO CC(C)C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000160559608 425987979 /nfs/dbraw/zinc/98/79/79/425987979.db2.gz BROFNMWPUYGPQN-HOTGVXAUSA-N 1 0 324.852 2.922 20 70 DFIDRO COCC[NH2+]CC(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000160560013 425988002 /nfs/dbraw/zinc/98/80/02/425988002.db2.gz ORMONORQXVXIMC-OAHLLOKOSA-N 1 0 312.841 2.779 20 70 DFIDRO Cc1noc(C)c1CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160599661 425988468 /nfs/dbraw/zinc/98/84/68/425988468.db2.gz WIUXRZFUFHLSPH-HNNXBMFYSA-N 1 0 315.421 2.946 20 70 DFIDRO Cc1ncc([C@H](C)[NH2+]C[C@H]2CC(=O)Nc3ccccc32)c(C)n1 ZINC000160593403 425988801 /nfs/dbraw/zinc/98/88/01/425988801.db2.gz WYCYNYCOMOPJOB-SMDDNHRTSA-N 1 0 310.401 2.870 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000160628847 425989752 /nfs/dbraw/zinc/98/97/52/425989752.db2.gz NAWNXOCJOMRQCU-MCIONIFRSA-N 1 0 312.335 2.629 20 70 DFIDRO O=C(C[NH2+]CC1CC1)NC1(c2cccc(Br)c2)CC1 ZINC000160636532 425990597 /nfs/dbraw/zinc/99/05/97/425990597.db2.gz MVKJLRBBKATAHH-UHFFFAOYSA-N 1 0 323.234 2.554 20 70 DFIDRO CC(=O)Nc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160733563 425994662 /nfs/dbraw/zinc/99/46/62/425994662.db2.gz WXLSHRQLVUWDMC-SJLPKXTDSA-N 1 0 302.418 2.772 20 70 DFIDRO C[C@@]1(CNc2ccc(C#N)nn2)CCC[N@@H+]1Cc1ccccc1 ZINC000160803752 425996358 /nfs/dbraw/zinc/99/63/58/425996358.db2.gz FDLCPNHMWUXFDX-SFHVURJKSA-N 1 0 307.401 2.815 20 70 DFIDRO O=C(Nc1nccn1Cc1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000160828408 425997310 /nfs/dbraw/zinc/99/73/10/425997310.db2.gz YIFPNGKGCQEPDL-GFCCVEGCSA-N 1 0 318.808 2.523 20 70 DFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccn(CCC(C)C)n1 ZINC000160865462 425998937 /nfs/dbraw/zinc/99/89/37/425998937.db2.gz OZROCZUQCYWPAE-CQSZACIVSA-N 1 0 309.458 2.781 20 70 DFIDRO CC(C)n1ccnc1CN1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000160852363 425998960 /nfs/dbraw/zinc/99/89/60/425998960.db2.gz QNMVRUIKIMKLFT-ZACQAIPSSA-N 1 0 320.481 2.538 20 70 DFIDRO O=C(/C=C/c1ccc2ccc(Cl)cc2n1)N1CCC[NH2+]CC1 ZINC000160869073 425999222 /nfs/dbraw/zinc/99/92/22/425999222.db2.gz UJCCRPYYDLYIKX-VOTSOKGWSA-N 1 0 315.804 2.723 20 70 DFIDRO COc1cc(C)cc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000160906800 425999748 /nfs/dbraw/zinc/99/97/48/425999748.db2.gz CKODOKGUKYZQJM-HOTGVXAUSA-N 1 0 319.449 2.676 20 70 DFIDRO C[C@H]([NH2+]CCOc1ccccc1Br)[C@H]1CCOC1 ZINC000160905629 426000365 /nfs/dbraw/zinc/00/03/65/426000365.db2.gz VWTOOUVNDZQJSC-RYUDHWBXSA-N 1 0 314.223 2.843 20 70 DFIDRO Fc1cccc(Br)c1CNCCC[NH2+]C1CC1 ZINC000160881252 426000791 /nfs/dbraw/zinc/00/07/91/426000791.db2.gz MRLJGJUJJFEJBW-UHFFFAOYSA-N 1 0 301.203 2.820 20 70 DFIDRO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000160904688 426000824 /nfs/dbraw/zinc/00/08/24/426000824.db2.gz BAVMPFJMKHDKAX-AYOQOUSVSA-N 1 0 308.425 2.961 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000160911008 426001458 /nfs/dbraw/zinc/00/14/58/426001458.db2.gz MNSMQCMNMBEYAF-HNNXBMFYSA-N 1 0 310.438 2.645 20 70 DFIDRO CC(C)NC(=O)CN[C@H](C)c1ccc(F)cc1Br ZINC000160930659 426001516 /nfs/dbraw/zinc/00/15/16/426001516.db2.gz CXLDIYVZFSNFIY-SECBINFHSA-N 1 0 317.202 2.763 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)CCOc2cc(C)ccc2C)CC1 ZINC000161059277 426006193 /nfs/dbraw/zinc/00/61/93/426006193.db2.gz RBIIVJCIUNYRPT-UHFFFAOYSA-N 1 0 318.461 2.920 20 70 DFIDRO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000160965158 426002621 /nfs/dbraw/zinc/00/26/21/426002621.db2.gz CWDILSXWAZGWEI-INIZCTEOSA-N 1 0 309.417 2.812 20 70 DFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1ccncc1 ZINC000160977288 426003991 /nfs/dbraw/zinc/00/39/91/426003991.db2.gz CUAFTLFYBBUAKD-QGZVFWFLSA-N 1 0 318.465 2.734 20 70 DFIDRO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000159368889 425959419 /nfs/dbraw/zinc/95/94/19/425959419.db2.gz IBZYWUXTJHAJRP-HOCLYGCPSA-N 1 0 320.383 2.811 20 70 DFIDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000159536683 425961482 /nfs/dbraw/zinc/96/14/82/425961482.db2.gz VZFDCBLAWXXCJH-LNLFQRSKSA-N 1 0 316.445 2.721 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCCSc2ccc(C)cc2)CC1 ZINC000159551981 425962858 /nfs/dbraw/zinc/96/28/58/425962858.db2.gz ZSEXRKDZRIIWIG-UHFFFAOYSA-N 1 0 321.490 2.824 20 70 DFIDRO C[C@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccccc1-n1cccn1 ZINC000159591168 425963201 /nfs/dbraw/zinc/96/32/01/425963201.db2.gz KAGPSHLNRJIZIK-AWEZNQCLSA-N 1 0 320.396 2.822 20 70 DFIDRO C[NH+]=C(NCc1nc(C)cs1)N1CCC(OC(C)(C)C)CC1 ZINC000159583694 425963647 /nfs/dbraw/zinc/96/36/47/425963647.db2.gz HFKURWWRFZGPKD-UHFFFAOYSA-N 1 0 324.494 2.806 20 70 DFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159626108 425964401 /nfs/dbraw/zinc/96/44/01/425964401.db2.gz ILRALFUPKLXNBY-GXSJLCMTSA-N 1 0 318.314 2.930 20 70 DFIDRO CCc1nc(CN2CC[NH+](CCCOC(C)C)CC2)cs1 ZINC000159608993 425964610 /nfs/dbraw/zinc/96/46/10/425964610.db2.gz FLIWUYTXBVBDCU-UHFFFAOYSA-N 1 0 311.495 2.638 20 70 DFIDRO O=C(NCC[NH2+]C1CCCCCC1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000159633455 425964622 /nfs/dbraw/zinc/96/46/22/425964622.db2.gz JANDTSCYFYXSGQ-XYPWUTKMSA-N 1 0 320.477 2.810 20 70 DFIDRO C[N@@H+](CC(=O)N1CCC[C@@H]1c1cccs1)C[C@@H]1CCC[C@@H]1O ZINC000159696161 425965445 /nfs/dbraw/zinc/96/54/45/425965445.db2.gz QPLPMOXZKLAEHY-ZNMIVQPWSA-N 1 0 322.474 2.504 20 70 DFIDRO CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)[C@H](C)[NH3+])cc1 ZINC000161031443 426005169 /nfs/dbraw/zinc/00/51/69/426005169.db2.gz DUJLAOPPDOXSLH-IAOVAPTHSA-N 1 0 320.433 2.629 20 70 DFIDRO O=C(c1ccc2ccccc2n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159791404 425967247 /nfs/dbraw/zinc/96/72/47/425967247.db2.gz BNBDWGDASNPGCS-UHFFFAOYSA-N 1 0 309.413 2.839 20 70 DFIDRO CC(C)[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000159794878 425967615 /nfs/dbraw/zinc/96/76/15/425967615.db2.gz WGPUBUADAOGMHN-OAHLLOKOSA-N 1 0 324.490 2.995 20 70 DFIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C[C@H]1CCC[NH+](C)C1 ZINC000159796816 425967747 /nfs/dbraw/zinc/96/77/47/425967747.db2.gz NACHQSFBUPOQEG-KRWDZBQOSA-N 1 0 323.525 2.545 20 70 DFIDRO C[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000159858707 425968788 /nfs/dbraw/zinc/96/87/88/425968788.db2.gz FPNMRPBZGPCWFT-DLTWYDFYSA-N 1 0 321.534 2.813 20 70 DFIDRO Cc1c(Br)cccc1C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159833347 425969309 /nfs/dbraw/zinc/96/93/09/425969309.db2.gz VHNSWCPNLUUEAY-CYBMUJFWSA-N 1 0 311.223 2.567 20 70 DFIDRO C[C@H](Cc1cccc(F)c1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159819926 425969536 /nfs/dbraw/zinc/96/95/36/425969536.db2.gz ADVQVOVZPKGONT-CQSZACIVSA-N 1 0 318.436 2.995 20 70 DFIDRO C=CCC[C@@H]([NH2+]CCC(=O)N1CCOCC1)c1ccccc1 ZINC000159940771 425971150 /nfs/dbraw/zinc/97/11/50/425971150.db2.gz UYRKTKLAJLCVJO-QGZVFWFLSA-N 1 0 302.418 2.532 20 70 DFIDRO CCC(=O)N[C@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000159940236 425972055 /nfs/dbraw/zinc/97/20/55/425972055.db2.gz LOAUOJAGWMVPGB-INIZCTEOSA-N 1 0 304.434 2.618 20 70 DFIDRO Cc1ccc(N2CC[C@@H]([NH+]3CCC(c4cc[nH]n4)CC3)C2=O)cc1 ZINC000160072070 425974072 /nfs/dbraw/zinc/97/40/72/425974072.db2.gz JONRMSSOLGQUGP-GOSISDBHSA-N 1 0 324.428 2.703 20 70 DFIDRO C[NH+](C)Cc1cccc(NC(=O)c2cccc(-c3nc[nH]n3)c2)c1 ZINC000160111628 425974635 /nfs/dbraw/zinc/97/46/35/425974635.db2.gz PJMIMGHYIWKSGP-UHFFFAOYSA-N 1 0 321.384 2.786 20 70 DFIDRO CC[NH+](CC)[C@H](C)CNC(=O)c1coc(-c2ccccc2)n1 ZINC000160071251 425974656 /nfs/dbraw/zinc/97/46/56/425974656.db2.gz ZGBKYRSWPRBAHW-CYBMUJFWSA-N 1 0 301.390 2.802 20 70 DFIDRO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)[C@H](C)[NH3+])cc1 ZINC000161031196 426005456 /nfs/dbraw/zinc/00/54/56/426005456.db2.gz DUJLAOPPDOXSLH-RRQGHBQHSA-N 1 0 320.433 2.629 20 70 DFIDRO CCC[C@H]([NH2+][C@@H](CC)COC)C(=O)N1CCc2sccc2C1 ZINC000160200299 425976580 /nfs/dbraw/zinc/97/65/80/425976580.db2.gz QOKQJOIVBMPFOH-GJZGRUSLSA-N 1 0 324.490 2.816 20 70 DFIDRO CCN(c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1)C(C)C ZINC000160182827 425976768 /nfs/dbraw/zinc/97/67/68/425976768.db2.gz DGTOIAQGPUGLER-CALCHBBNSA-N 1 0 315.461 2.888 20 70 DFIDRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2coc3ccccc32)N1 ZINC000160297149 425977840 /nfs/dbraw/zinc/97/78/40/425977840.db2.gz BFBKYEXCMRVLRY-HNNXBMFYSA-N 1 0 303.325 2.879 20 70 DFIDRO C[C@@H]1C[C@@H](NC(=O)N(C)C2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000160332793 425979088 /nfs/dbraw/zinc/97/90/88/425979088.db2.gz ZUMWYEQMOMVZMY-GDBMZVCRSA-N 1 0 301.434 2.843 20 70 DFIDRO CC1(C)C[C@H](NC(=O)C2(C[NH3+])CCCC2)c2ccccc2O1 ZINC000160341345 425979511 /nfs/dbraw/zinc/97/95/11/425979511.db2.gz RPEZXLRCFJWOIP-AWEZNQCLSA-N 1 0 302.418 2.924 20 70 DFIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000160344373 425979678 /nfs/dbraw/zinc/97/96/78/425979678.db2.gz KDDVOEYRAXVNJK-WCQYABFASA-N 1 0 300.443 2.656 20 70 DFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1c(C)onc1-c1ccccn1 ZINC000161393599 426022443 /nfs/dbraw/zinc/02/24/43/426022443.db2.gz QASTWHWPYQDVAC-LBPRGKRZSA-N 1 0 316.405 2.505 20 70 DFIDRO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cn3cc(C)ccc3n2)C1 ZINC000161417240 426022974 /nfs/dbraw/zinc/02/29/74/426022974.db2.gz ZCJJISZUVGHLRY-HNNXBMFYSA-N 1 0 324.432 2.634 20 70 DFIDRO C[C@@H]1C[C@H](NC(=O)NC2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000161431819 426023806 /nfs/dbraw/zinc/02/38/06/426023806.db2.gz WVSGTYWPQBNKBI-PBHICJAKSA-N 1 0 301.434 2.891 20 70 DFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000161500240 426026144 /nfs/dbraw/zinc/02/61/44/426026144.db2.gz FOQXXBFZTWGMJZ-IUODEOHRSA-N 1 0 310.463 2.824 20 70 DFIDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CCOC1 ZINC000161116055 426008513 /nfs/dbraw/zinc/00/85/13/426008513.db2.gz WSMNHUAQXCJMGO-SOUVJXGZSA-N 1 0 324.415 2.944 20 70 DFIDRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000161100395 426009060 /nfs/dbraw/zinc/00/90/60/426009060.db2.gz XXSSJXBVZSNGTD-QZTJIDSGSA-N 1 0 316.445 2.579 20 70 DFIDRO CC[C@H](COC)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161131173 426010098 /nfs/dbraw/zinc/01/00/98/426010098.db2.gz ZQJLRGWJOXLJBU-KGLIPLIRSA-N 1 0 312.404 2.944 20 70 DFIDRO O=C([C@H]1C[C@@H]1c1cccc(F)c1F)N1CC[NH+](CC2CC2)CC1 ZINC000161130082 426010275 /nfs/dbraw/zinc/01/02/75/426010275.db2.gz CCCKCDYTENXZDT-CABCVRRESA-N 1 0 320.383 2.623 20 70 DFIDRO COc1ccc(Br)c(C[NH2+]C(C)(C)[C@@H](C)O)c1 ZINC000161126082 426010520 /nfs/dbraw/zinc/01/05/20/426010520.db2.gz MLRWYIGZDGVTET-SECBINFHSA-N 1 0 302.212 2.707 20 70 DFIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](COC)C2CC2)c1 ZINC000161150757 426010865 /nfs/dbraw/zinc/01/08/65/426010865.db2.gz VUJWQHUZPYBVGX-CXAGYDPISA-N 1 0 304.434 2.730 20 70 DFIDRO CCC[NH+](CCC)CCCNC(=O)Nc1cnc(CC)nc1 ZINC000161172327 426011070 /nfs/dbraw/zinc/01/10/70/426011070.db2.gz GVOJMEVCZREBFS-UHFFFAOYSA-N 1 0 307.442 2.673 20 70 DFIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)C2CCC2)CC1 ZINC000161185380 426012597 /nfs/dbraw/zinc/01/25/97/426012597.db2.gz RIZOTXKAUOVJGC-CQSZACIVSA-N 1 0 316.449 2.801 20 70 DFIDRO COCCC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2C)CC1 ZINC000161180254 426012871 /nfs/dbraw/zinc/01/28/71/426012871.db2.gz XNYBBIBVJJOYLV-UHFFFAOYSA-N 1 0 324.852 2.879 20 70 DFIDRO CC[C@H](NC(=O)[C@H]([NH3+])CCSC)c1ccc(F)cc1F ZINC000161210348 426013437 /nfs/dbraw/zinc/01/34/37/426013437.db2.gz NPEXBQLIPSLNMM-OLZOCXBDSA-N 1 0 302.390 2.613 20 70 DFIDRO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)C(=O)NCc1ccccc1 ZINC000161208069 426013691 /nfs/dbraw/zinc/01/36/91/426013691.db2.gz STCZMVCWWOQMTG-STQMWFEESA-N 1 0 301.365 2.576 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000161222066 426013901 /nfs/dbraw/zinc/01/39/01/426013901.db2.gz FPSZZFNTWCGAGN-AWEZNQCLSA-N 1 0 315.442 2.943 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000161230316 426014131 /nfs/dbraw/zinc/01/41/31/426014131.db2.gz XPJUQMXMUZCCFF-OAHLLOKOSA-N 1 0 306.425 2.982 20 70 DFIDRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](CO)CC(C)C)cc1)C1CC1 ZINC000161247694 426014802 /nfs/dbraw/zinc/01/48/02/426014802.db2.gz PQYAJSJDCNEXSF-QGZVFWFLSA-N 1 0 318.461 2.808 20 70 DFIDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)ccc2Br)C1 ZINC000161246313 426015065 /nfs/dbraw/zinc/01/50/65/426015065.db2.gz BYJVMQZGYQYRBE-LLVKDONJSA-N 1 0 311.223 2.582 20 70 DFIDRO Cc1ccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)cn1 ZINC000161292840 426017885 /nfs/dbraw/zinc/01/78/85/426017885.db2.gz BVYUPONDZDZWTG-LLVKDONJSA-N 1 0 309.211 2.527 20 70 DFIDRO CCn1cnnc1[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000161329301 426019785 /nfs/dbraw/zinc/01/97/85/426019785.db2.gz YUAQKPDYAUXPDP-HNNXBMFYSA-N 1 0 300.406 2.556 20 70 DFIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCC[C@@H]3C)c2c1 ZINC000161333401 426020185 /nfs/dbraw/zinc/02/01/85/426020185.db2.gz YRLRJDDVIIQHSK-NSHDSACASA-N 1 0 300.358 2.622 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000161360270 426021403 /nfs/dbraw/zinc/02/14/03/426021403.db2.gz FNDAMJXWLOIIOT-ZDUSSCGKSA-N 1 0 319.792 2.819 20 70 DFIDRO Cc1ccc(C[NH2+]C[C@H](O)C(F)(F)F)cc1Br ZINC000218095771 426565352 /nfs/dbraw/zinc/56/53/52/426565352.db2.gz MYTVGUFSMCUJOY-JTQLQIEISA-N 1 0 312.129 2.770 20 70 DFIDRO C[C@@H]([NH2+]Cc1cc[nH]n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218177285 426564516 /nfs/dbraw/zinc/56/45/16/426564516.db2.gz LNHRVRYAKFAROO-OLZOCXBDSA-N 1 0 308.426 2.535 20 70 DFIDRO CCCn1c2ccccc2nc1NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161293860 273624913 /nfs/dbraw/zinc/62/49/13/273624913.db2.gz SYJHEYAARKKWBR-KRWDZBQOSA-N 1 0 300.406 2.775 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000161014183 274176864 /nfs/dbraw/zinc/17/68/64/274176864.db2.gz IWXJKCXTYRVMMX-AWEZNQCLSA-N 1 0 304.459 2.925 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000161257789 277283969 /nfs/dbraw/zinc/28/39/69/277283969.db2.gz PQQRYCPIRFQCFW-KGLIPLIRSA-N 1 0 314.351 2.933 20 70 DFIDRO C[C@@H](C[NH2+][C@@H]1CCCc2c1cnn2C)N1CCc2ccccc21 ZINC000159937564 278285100 /nfs/dbraw/zinc/28/51/00/278285100.db2.gz MYWJZDFYOYGAPL-WMLDXEAASA-N 1 0 310.445 2.838 20 70 DFIDRO CC1(C)C[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)C(C)(C)O1 ZINC000161180384 278369178 /nfs/dbraw/zinc/36/91/78/278369178.db2.gz ZTZTVKWMOQXOPL-CQSZACIVSA-N 1 0 320.481 2.873 20 70 DFIDRO CC[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)[C@H]1CCOC1 ZINC000160753605 288063394 /nfs/dbraw/zinc/06/33/94/288063394.db2.gz QSXWRIYRVARVPF-BZSNNMDCSA-N 1 0 316.445 2.755 20 70 DFIDRO [NH3+]C[C@@H]1CCCN1C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000160258251 295252179 /nfs/dbraw/zinc/25/21/79/295252179.db2.gz WWSDCAXZFCORFV-QWHCGFSZSA-N 1 0 300.324 2.672 20 70 DFIDRO CC(C)(C)Cc1cc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)n[nH]1 ZINC000159439296 295376801 /nfs/dbraw/zinc/37/68/01/295376801.db2.gz FAPLESJXHUEXIZ-MRXNPFEDSA-N 1 0 312.417 2.824 20 70 DFIDRO CC[C@H]([NH2+]CCN(CC)C(=O)OC(C)(C)C)[C@H]1CCOC1 ZINC000159497766 295377743 /nfs/dbraw/zinc/37/77/43/295377743.db2.gz GCBZEEWMVLCONY-KBPBESRZSA-N 1 0 300.443 2.648 20 70 DFIDRO COCCOc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159553198 295378286 /nfs/dbraw/zinc/37/82/86/295378286.db2.gz SDAGTUXACSCHAJ-KURKYZTESA-N 1 0 317.429 2.759 20 70 DFIDRO C[C@@H](CC(=O)NC[C@H](C1CC1)[NH+](C)C)c1ccc(F)cc1F ZINC000159576108 295378536 /nfs/dbraw/zinc/37/85/36/295378536.db2.gz RSZHVJYAMJNSPL-MEDUHNTESA-N 1 0 310.388 2.915 20 70 DFIDRO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000159613127 295378846 /nfs/dbraw/zinc/37/88/46/295378846.db2.gz OODZMNFODJBJCK-OLZOCXBDSA-N 1 0 322.453 2.569 20 70 DFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NCCc1ccc(F)cc1 ZINC000159668927 295379893 /nfs/dbraw/zinc/37/98/93/295379893.db2.gz DSQIAWKABVUOPV-RDJZCZTQSA-N 1 0 304.409 2.749 20 70 DFIDRO CS[C@H](C)CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000159724968 295380760 /nfs/dbraw/zinc/38/07/60/295380760.db2.gz FXECMCJSDPRYFN-UMVBOHGHSA-N 1 0 301.500 2.548 20 70 DFIDRO CS[C@H](C)CNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000159725235 295380762 /nfs/dbraw/zinc/38/07/62/295380762.db2.gz FXECMCJSDPRYFN-NFAWXSAZSA-N 1 0 301.500 2.548 20 70 DFIDRO COCCC1(C(=O)NCc2ccc(C[NH+](C)C)cc2)CCC1 ZINC000159713472 295380789 /nfs/dbraw/zinc/38/07/89/295380789.db2.gz DNDAXAWTANXDBK-UHFFFAOYSA-N 1 0 304.434 2.571 20 70 DFIDRO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cnn1CC(C)C ZINC000159789275 295381605 /nfs/dbraw/zinc/38/16/05/295381605.db2.gz SXPGRYOYAPFGIO-OAHLLOKOSA-N 1 0 320.481 2.698 20 70 DFIDRO CC(C)[N@H+](CCC(=O)N1CCCCC1)CCc1nccs1 ZINC000159813506 295382091 /nfs/dbraw/zinc/38/20/91/295382091.db2.gz MGJLYKLRSJJJKM-UHFFFAOYSA-N 1 0 309.479 2.799 20 70 DFIDRO CCCC[N@H+](C)CCNC(=O)NCc1cc(C)cc(OC)c1 ZINC000159836477 295382380 /nfs/dbraw/zinc/38/23/80/295382380.db2.gz GDUVAUHAKFAPMQ-UHFFFAOYSA-N 1 0 307.438 2.535 20 70 DFIDRO CC[N@H+](Cc1ccc(C(=O)NCc2ccnn2C)cc1)C(C)C ZINC000159918642 295383603 /nfs/dbraw/zinc/38/36/03/295383603.db2.gz CHAARQFSLPXAMC-UHFFFAOYSA-N 1 0 314.433 2.580 20 70 DFIDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000159982426 295384667 /nfs/dbraw/zinc/38/46/67/295384667.db2.gz PYXVBVUZWTYMLX-UHFFFAOYSA-N 1 0 323.396 2.885 20 70 DFIDRO CC(C)[C@@H](CNC(=O)[C@@H]1CCC(=O)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000160005515 295385001 /nfs/dbraw/zinc/38/50/01/295385001.db2.gz ORIMPQBXSWHWLD-CGTJXYLNSA-N 1 0 322.493 2.864 20 70 DFIDRO CC1CCC([NH+]2CCN(C(=O)[C@H]3CCC(=O)C[C@H]3C)CC2)CC1 ZINC000160010110 295385326 /nfs/dbraw/zinc/38/53/26/295385326.db2.gz KAEVEODABUYDJZ-CSKOPFHVSA-N 1 0 320.477 2.715 20 70 DFIDRO Cc1ccc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)nc1 ZINC000160081337 295386248 /nfs/dbraw/zinc/38/62/48/295386248.db2.gz PYBVSGSAIUOPOP-UHFFFAOYSA-N 1 0 312.417 2.870 20 70 DFIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC2(C3CC3)CCC2)C1 ZINC000160247307 295388493 /nfs/dbraw/zinc/38/84/93/295388493.db2.gz UZEMYCKICFWFNW-OAHLLOKOSA-N 1 0 307.482 2.844 20 70 DFIDRO CCCCn1ncc(NC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)c1C ZINC000160259570 295388763 /nfs/dbraw/zinc/38/87/63/295388763.db2.gz CKRFYZQPVUSAME-HNNXBMFYSA-N 1 0 321.469 2.797 20 70 DFIDRO O=C(NC1(CO)CC1)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000160256630 295388831 /nfs/dbraw/zinc/38/88/31/295388831.db2.gz NTBKQCBFQCDODE-UHFFFAOYSA-N 1 0 318.760 2.782 20 70 DFIDRO C[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000160404472 295390658 /nfs/dbraw/zinc/39/06/58/295390658.db2.gz OJKCQKLTJDSGAJ-INIZCTEOSA-N 1 0 318.461 2.687 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC000160490668 295392161 /nfs/dbraw/zinc/39/21/61/295392161.db2.gz UTOUMFMXJWKXCF-CYBMUJFWSA-N 1 0 317.389 2.785 20 70 DFIDRO O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)Nc1ccc(F)cc1 ZINC000160549517 295392607 /nfs/dbraw/zinc/39/26/07/295392607.db2.gz HWQSBZKVVCNICJ-UHFFFAOYSA-N 1 0 316.380 2.757 20 70 DFIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc2c(s1)CCC2 ZINC000160576234 295393041 /nfs/dbraw/zinc/39/30/41/295393041.db2.gz GHWIRLZJIYXKMU-MRVPVSSYSA-N 1 0 306.353 2.566 20 70 DFIDRO COc1cccc(CCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160589060 295393642 /nfs/dbraw/zinc/39/36/42/295393642.db2.gz QHQCDFVMCLILBA-QGZVFWFLSA-N 1 0 318.461 2.864 20 70 DFIDRO Cn1cc(C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)cn1 ZINC000160631815 295393900 /nfs/dbraw/zinc/39/39/00/295393900.db2.gz KVHBJEISXNXOAN-UHFFFAOYSA-N 1 0 321.428 2.985 20 70 DFIDRO CC(C)S(=O)(=O)CCCN(C)Cc1ccc(F)c(F)c1 ZINC000160727037 295394990 /nfs/dbraw/zinc/39/49/90/295394990.db2.gz DKXCFNOESKAFNY-UHFFFAOYSA-N 1 0 305.390 2.610 20 70 DFIDRO Cc1cc(NC(=O)CC[NH2+]C(C)C)ccc1OC1CCOCC1 ZINC000160939289 295396859 /nfs/dbraw/zinc/39/68/59/295396859.db2.gz APNVZPOZDKKIKT-UHFFFAOYSA-N 1 0 320.433 2.879 20 70 DFIDRO CC(C)[NH2+]CCC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000161082902 295398446 /nfs/dbraw/zinc/39/84/46/295398446.db2.gz UEFUVDJNXYEHRY-UHFFFAOYSA-N 1 0 320.277 2.718 20 70 DFIDRO COC[C@@H](Cc1ccccc1)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161130748 295399134 /nfs/dbraw/zinc/39/91/34/295399134.db2.gz RIXMLORTDGTHOB-QGZVFWFLSA-N 1 0 313.397 2.805 20 70 DFIDRO COCC[NH+]1CCC(NC(=O)CC2CCC(C)(C)CC2)CC1 ZINC000161349426 295402101 /nfs/dbraw/zinc/40/21/01/295402101.db2.gz ZJZWQHCPDFZUOX-UHFFFAOYSA-N 1 0 310.482 2.820 20 70 DFIDRO CSC[C@H](CCO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000160174242 295623473 /nfs/dbraw/zinc/62/34/73/295623473.db2.gz AYQIGPAGVHNBNL-LSDHHAIUSA-N 1 0 324.446 2.620 20 70 DFIDRO C=C(Cl)C[NH2+][C@@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000161001938 332179214 /nfs/dbraw/zinc/17/92/14/332179214.db2.gz XGWNMFJQIUVEJB-QWHCGFSZSA-N 1 0 318.845 2.743 20 70 DFIDRO C[C@H](C(=O)NC1(C#N)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000160844102 333369484 /nfs/dbraw/zinc/36/94/84/333369484.db2.gz GFHRPSSDTLJOQN-OAHLLOKOSA-N 1 0 311.429 2.502 20 70 DFIDRO [NH2+]=C(NCc1cccc(-c2ccccn2)c1)N1CCSCC1 ZINC000160787563 334879387 /nfs/dbraw/zinc/87/93/87/334879387.db2.gz QWERCCMUGCOWIR-UHFFFAOYSA-N 1 0 312.442 2.612 20 70 DFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000159552111 518184331 /nfs/dbraw/zinc/18/43/31/518184331.db2.gz IHUHSGYFXHKZIJ-WCQYABFASA-N 1 0 307.463 2.887 20 70 DFIDRO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)C(C)C ZINC000160527903 519568665 /nfs/dbraw/zinc/56/86/65/519568665.db2.gz MOGULLWSQXXFGN-JFIYKMOQSA-N 1 0 310.482 2.647 20 70 DFIDRO CCC[N@@H+]1CCCN(C(=O)Cc2cc(Cl)ccc2OC)CC1 ZINC000160390555 519849503 /nfs/dbraw/zinc/84/95/03/519849503.db2.gz HCOBJSQTWQJCGQ-UHFFFAOYSA-N 1 0 324.852 2.835 20 70 DFIDRO COc1ccc(-n2c(C)cc(C(=O)NCC(C)(C)[NH3+])c2C)cc1 ZINC000160061580 523315129 /nfs/dbraw/zinc/31/51/29/523315129.db2.gz RBTAMVBREHNNBM-UHFFFAOYSA-N 1 0 315.417 2.570 20 70 DFIDRO CCn1cc(C2CC[NH+](Cc3ccc(C(=O)OC)o3)CC2)cn1 ZINC000160464040 523355680 /nfs/dbraw/zinc/35/56/80/523355680.db2.gz OEJOCXCSQBVGGG-UHFFFAOYSA-N 1 0 317.389 2.662 20 70 DFIDRO C[NH+]1CCC(C(=O)NC[C@@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000159636267 523751050 /nfs/dbraw/zinc/75/10/50/523751050.db2.gz PBNYKEWXJCFIRL-PXNSSMCTSA-N 1 0 312.457 2.739 20 70 DFIDRO C[C@H](CCn1cccn1)[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000159361347 524265921 /nfs/dbraw/zinc/26/59/21/524265921.db2.gz BRTCGLYHRHYZDL-CVEARBPZSA-N 1 0 307.438 2.717 20 70 DFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000160527687 524569940 /nfs/dbraw/zinc/56/99/40/524569940.db2.gz HQFHDAAZRFZWRV-VXGBXAGGSA-N 1 0 317.364 2.567 20 70 DFIDRO C[C@H]([NH3+])CCNC(=O)c1cccc(Br)c1Cl ZINC000160410016 524832561 /nfs/dbraw/zinc/83/25/61/524832561.db2.gz FMESGQDNZYVKMO-ZETCQYMHSA-N 1 0 305.603 2.570 20 70 DFIDRO O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000161189631 526867200 /nfs/dbraw/zinc/86/72/00/526867200.db2.gz SQHFXAWYRKSGIJ-PWSUYJOCSA-N 1 0 304.287 2.545 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc3c(s1)CCC3)CC2 ZINC000160449682 527195272 /nfs/dbraw/zinc/19/52/72/527195272.db2.gz MZXRDXZGWFLDDY-GWCFXTLKSA-N 1 0 302.447 2.802 20 70 DFIDRO FC(F)(F)c1nnc(NCCC[NH2+]Cc2cccnc2)s1 ZINC000160367136 527690985 /nfs/dbraw/zinc/69/09/85/527690985.db2.gz OAABWIDFLWZCHE-UHFFFAOYSA-N 1 0 317.340 2.544 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1csc(-c2ccc(C)o2)n1 ZINC000161375449 290728279 /nfs/dbraw/zinc/72/82/79/290728279.db2.gz HZPPAIACSFSNNZ-LLVKDONJSA-N 1 0 305.403 2.536 20 70 DFIDRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000159532385 186125576 /nfs/dbraw/zinc/12/55/76/186125576.db2.gz QCZBAVKEDFCJDY-YQVWRLOYSA-N 1 0 316.445 2.579 20 70 DFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000159575242 186128454 /nfs/dbraw/zinc/12/84/54/186128454.db2.gz BKFVRHJRQVNXFI-KKUMJFAQSA-N 1 0 314.429 2.718 20 70 DFIDRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000159588594 186128895 /nfs/dbraw/zinc/12/88/95/186128895.db2.gz RXTYVFXFUMLEPE-UHFFFAOYSA-N 1 0 304.221 2.647 20 70 DFIDRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cc(C)cc(OC)c1 ZINC000159598395 186130231 /nfs/dbraw/zinc/13/02/31/186130231.db2.gz YOMCGBSWEJNMHB-CQSZACIVSA-N 1 0 307.438 2.533 20 70 DFIDRO COc1cccc(CC(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000159617507 186131581 /nfs/dbraw/zinc/13/15/81/186131581.db2.gz UOVFKDWXICDICX-UHFFFAOYSA-N 1 0 304.434 2.666 20 70 DFIDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cccc(F)n2)c1 ZINC000159635395 186131671 /nfs/dbraw/zinc/13/16/71/186131671.db2.gz FQBSSQVMNPKFTG-UHFFFAOYSA-N 1 0 315.392 2.733 20 70 DFIDRO CCC(CC)(C[NH2+]C[C@@H](O)c1ccc(F)cc1F)C(=O)OC ZINC000159681144 186135085 /nfs/dbraw/zinc/13/50/85/186135085.db2.gz DZFNGYMGSNTYKC-CQSZACIVSA-N 1 0 315.360 2.567 20 70 DFIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000159696597 186136531 /nfs/dbraw/zinc/13/65/31/186136531.db2.gz VFEFWCFYTYCYIW-INIZCTEOSA-N 1 0 312.417 2.572 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)Cc2ccccc2C)CC1 ZINC000159699477 186136644 /nfs/dbraw/zinc/13/66/44/186136644.db2.gz UDROSZWSSIILQA-INIZCTEOSA-N 1 0 303.450 2.663 20 70 DFIDRO CCOc1ccc(CC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159734772 186138438 /nfs/dbraw/zinc/13/84/38/186138438.db2.gz JNJMXCDIEUNGJD-UHFFFAOYSA-N 1 0 316.445 2.618 20 70 DFIDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000159697258 283269174 /nfs/dbraw/zinc/26/91/74/283269174.db2.gz RZXNAFLAKXEEMY-UHFFFAOYSA-N 1 0 315.373 2.669 20 70 DFIDRO CCCC[N@H+](C)CCNC(=O)c1coc(-c2ccccc2)n1 ZINC000159952160 398967414 /nfs/dbraw/zinc/96/74/14/398967414.db2.gz RZEWXWCSCYFNAI-UHFFFAOYSA-N 1 0 301.390 2.803 20 70 DFIDRO CC(C)(NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(F)c1 ZINC000160663429 398971874 /nfs/dbraw/zinc/97/18/74/398971874.db2.gz HKCWQXUMTSIBNY-MRXNPFEDSA-N 1 0 319.424 2.844 20 70 DFIDRO CC[C@H]([NH2+]CCSCC(=O)OC)c1ccc(F)cc1F ZINC000160892608 398973013 /nfs/dbraw/zinc/97/30/13/398973013.db2.gz TVMZCLFVLAJYCX-ZDUSSCGKSA-N 1 0 303.374 2.912 20 70 DFIDRO C[NH2+][C@@H]1CCCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161491647 197498859 /nfs/dbraw/zinc/49/88/59/197498859.db2.gz ZEJLVIHEGGKHJD-LLVKDONJSA-N 1 0 301.203 2.772 20 70 DFIDRO COC(=O)c1cc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1C ZINC000161490068 197498989 /nfs/dbraw/zinc/49/89/89/197498989.db2.gz VFIYCDYXYXIUHL-KGLIPLIRSA-N 1 0 318.417 2.746 20 70 DFIDRO C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)Oc1ccc(Cl)cc1 ZINC000161135162 197468515 /nfs/dbraw/zinc/46/85/15/197468515.db2.gz UZNVKFOBWNECKQ-DYEKYZERSA-N 1 0 310.825 2.741 20 70 DFIDRO CO[C@H]1CCN(Cc2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000161036367 197459080 /nfs/dbraw/zinc/45/90/80/197459080.db2.gz SMLDHILQEYBAHK-STQMWFEESA-N 1 0 303.233 2.932 20 70 DFIDRO COC[C@H]([NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1)C(C)C ZINC000161025742 197458295 /nfs/dbraw/zinc/45/82/95/197458295.db2.gz CWSDSPDWDSJRON-SFHVURJKSA-N 1 0 318.461 2.860 20 70 DFIDRO Cc1noc(C)c1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160960503 197452609 /nfs/dbraw/zinc/45/26/09/197452609.db2.gz PXNWBIYFMIBXAR-UHFFFAOYSA-N 1 0 322.453 2.555 20 70 DFIDRO CCCc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160561445 197421601 /nfs/dbraw/zinc/42/16/01/197421601.db2.gz NIRUSMKCSYGROR-LLVKDONJSA-N 1 0 302.340 2.968 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000160494297 197416356 /nfs/dbraw/zinc/41/63/56/197416356.db2.gz FMXYZLKLCPICFO-UHFFFAOYSA-N 1 0 321.446 2.888 20 70 DFIDRO CC[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000160277198 197397843 /nfs/dbraw/zinc/39/78/43/197397843.db2.gz HRAHSSYTIVNTNU-CHWSQXEVSA-N 1 0 300.324 2.759 20 70 DFIDRO CC(C)(CO)CCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000160353201 197403130 /nfs/dbraw/zinc/40/31/30/197403130.db2.gz ZYOTUJMPJJZWPZ-UHFFFAOYSA-N 1 0 318.461 2.811 20 70 DFIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000160242826 197395226 /nfs/dbraw/zinc/39/52/26/197395226.db2.gz GHZFQGIJLIWZBO-LSDHHAIUSA-N 1 0 304.459 2.903 20 70 DFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(Cl)nc(N)n1 ZINC000160244255 197395003 /nfs/dbraw/zinc/39/50/03/197395003.db2.gz NRJDDLGXWVHTND-YPMHNXCESA-N 1 0 317.824 2.645 20 70 DFIDRO COc1cc(C)cc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000160221946 197393671 /nfs/dbraw/zinc/39/36/71/197393671.db2.gz CZMARBDVPDLWTF-YOEHRIQHSA-N 1 0 319.449 2.532 20 70 DFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000160191773 197392131 /nfs/dbraw/zinc/39/21/31/197392131.db2.gz APISEIQNBQXSIP-GFCCVEGCSA-N 1 0 305.378 2.513 20 70 DFIDRO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000160068235 197383326 /nfs/dbraw/zinc/38/33/26/197383326.db2.gz FJXWHIXJKKYNRE-XHVZSJERSA-N 1 0 311.223 2.754 20 70 DFIDRO COc1cccc(-c2noc([C@@H](C)[NH2+]CCC(C)(C)O)n2)c1 ZINC000160048283 197381885 /nfs/dbraw/zinc/38/18/85/197381885.db2.gz LLECHHMETYPCHV-LLVKDONJSA-N 1 0 305.378 2.557 20 70 DFIDRO C[C@H](CCC(=O)NCC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC000160124938 197388063 /nfs/dbraw/zinc/38/80/63/197388063.db2.gz IPGDVJMDYYPJSG-MRXNPFEDSA-N 1 0 318.461 2.797 20 70 DFIDRO C[NH+](C)CCCC1CCN(C(=O)NCc2ccc(O)cc2)CC1 ZINC000160130797 197387762 /nfs/dbraw/zinc/38/77/62/197387762.db2.gz BPWKBPZOBRNIMO-UHFFFAOYSA-N 1 0 319.449 2.656 20 70 DFIDRO CCC1(CC)[C@H]([NH2+][C@H](C(N)=O)c2ccc(F)cc2)C[C@@H]1OC ZINC000160107796 197386153 /nfs/dbraw/zinc/38/61/53/197386153.db2.gz INCZZDQYOSLYDS-ILXRZTDVSA-N 1 0 308.397 2.535 20 70 DFIDRO C[C@@H]1C[C@@H](NC(=O)N(C)CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000159892986 197371539 /nfs/dbraw/zinc/37/15/39/197371539.db2.gz OSHSTDKUCXAMAL-RHSMWYFYSA-N 1 0 301.434 2.701 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)Cc2ccc(C)s2)CC1 ZINC000159888227 197371000 /nfs/dbraw/zinc/37/10/00/197371000.db2.gz LZYYKFZXPBQXDZ-CYBMUJFWSA-N 1 0 309.479 2.725 20 70 DFIDRO CC[C@@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)c1cnn(C)c1 ZINC000159848776 197368546 /nfs/dbraw/zinc/36/85/46/197368546.db2.gz TYVMOXRJUXZAIT-CZUORRHYSA-N 1 0 318.490 2.969 20 70 DFIDRO COc1cc(C[N@H+](C)CCn2ccnc2)c(SC)cc1OC ZINC000159846115 197368259 /nfs/dbraw/zinc/36/82/59/197368259.db2.gz LKCHCJOYPMFMDK-UHFFFAOYSA-N 1 0 321.446 2.754 20 70 DFIDRO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCn2ccnc2)CC1 ZINC000159810153 197366398 /nfs/dbraw/zinc/36/63/98/197366398.db2.gz NDZYXHCYTDYROY-AWEZNQCLSA-N 1 0 320.387 2.540 20 70 DFIDRO Cc1ccc(C(=O)CCN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000159781509 197364303 /nfs/dbraw/zinc/36/43/03/197364303.db2.gz KSBRZJJHBLWZCR-KRWDZBQOSA-N 1 0 300.446 2.986 20 70 DFIDRO c1cn(-c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)cn1 ZINC000159538084 197360444 /nfs/dbraw/zinc/36/04/44/197360444.db2.gz AJAWYBQMQLAQAH-KURKYZTESA-N 1 0 309.413 2.920 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)CCc2ccccc2)CC1 ZINC000159510167 197360345 /nfs/dbraw/zinc/36/03/45/197360345.db2.gz NQZZAWXVDTVIKC-INIZCTEOSA-N 1 0 303.450 2.745 20 70 DFIDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000159509557 197358791 /nfs/dbraw/zinc/35/87/91/197358791.db2.gz AFSMCYCAQNUXGN-CYBMUJFWSA-N 1 0 305.378 2.566 20 70 DFIDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000159456893 197355298 /nfs/dbraw/zinc/35/52/98/197355298.db2.gz ADIWSSFZJNTTQF-MNOVXSKESA-N 1 0 303.431 2.951 20 70 DFIDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000159433916 197353575 /nfs/dbraw/zinc/35/35/75/197353575.db2.gz OJGISRFWLMHVJY-UHFFFAOYSA-N 1 0 317.183 2.560 20 70 DFIDRO COCC(C)(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000160382606 284786909 /nfs/dbraw/zinc/78/69/09/284786909.db2.gz HYQBLKHAFBCKFF-INIZCTEOSA-N 1 0 304.434 2.612 20 70 DFIDRO Cc1ccc(C)c(SCC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000159394258 197351007 /nfs/dbraw/zinc/35/10/07/197351007.db2.gz LJJSQSGNJVQCGU-QGZVFWFLSA-N 1 0 304.459 2.608 20 70 DFIDRO COCCN(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1OC ZINC000159406001 197351102 /nfs/dbraw/zinc/35/11/02/197351102.db2.gz ODAODGTWASPTJD-LBPRGKRZSA-N 1 0 300.830 2.577 20 70 DFIDRO CCC(C)(CC)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000159383096 542717231 /nfs/dbraw/zinc/71/72/31/542717231.db2.gz OKXXCWMGEPCEID-SJPCQFCGSA-N 1 0 321.509 2.582 20 70 DFIDRO O=C(NC[C@H]1C[C@@H]1c1ccccc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000159789611 542719605 /nfs/dbraw/zinc/71/96/05/542719605.db2.gz OOTLJISFBUVKJP-QRVBRYPASA-N 1 0 306.409 2.621 20 70 DFIDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000160070786 542720647 /nfs/dbraw/zinc/72/06/47/542720647.db2.gz VAIYGKQVUUHRDG-UHFFFAOYSA-N 1 0 314.433 2.793 20 70 DFIDRO C[C@@H](CC(=O)N1C[C@@H](C)Oc2cc(F)ccc21)C1CC[NH2+]CC1 ZINC000161104187 542727235 /nfs/dbraw/zinc/72/72/35/542727235.db2.gz VAXPJPMEZBWTFM-QWHCGFSZSA-N 1 0 320.408 2.965 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000161239465 542727845 /nfs/dbraw/zinc/72/78/45/542727845.db2.gz RXDMRIUMEDVSJM-GHMZBOCLSA-N 1 0 321.471 2.800 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(Br)c(F)c2)C1 ZINC000161317526 542728739 /nfs/dbraw/zinc/72/87/39/542728739.db2.gz NFBQQPGOYKVFEN-VHSXEESVSA-N 1 0 315.186 2.588 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(Br)ccc2F)C1 ZINC000161361231 542728825 /nfs/dbraw/zinc/72/88/25/542728825.db2.gz BKFVTNZTNDXRCU-ZJUUUORDSA-N 1 0 315.186 2.588 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(F)ccc2Br)C1 ZINC000161349610 542728868 /nfs/dbraw/zinc/72/88/68/542728868.db2.gz SSTUHTCEDHPPSM-NXEZZACHSA-N 1 0 315.186 2.588 20 70 DFIDRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161438213 542729235 /nfs/dbraw/zinc/72/92/35/542729235.db2.gz KNQJRPCKHDOZQE-NWDGAFQWSA-N 1 0 319.430 2.640 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2ccc(OC(F)F)cc2)C1 ZINC000161497763 542730715 /nfs/dbraw/zinc/73/07/15/542730715.db2.gz ODXCEVMYNDFEHE-STQMWFEESA-N 1 0 312.360 2.607 20 70 DFIDRO CC(C)c1nn(C)c2sc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc12 ZINC000160784095 542724348 /nfs/dbraw/zinc/72/43/48/542724348.db2.gz JTQQSEVZLGJJDG-GHMZBOCLSA-N 1 0 320.462 2.758 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000160905608 542725402 /nfs/dbraw/zinc/72/54/02/542725402.db2.gz IHJNDIZPUJSNBQ-MNOVXSKESA-N 1 0 317.216 2.758 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000161019888 542726227 /nfs/dbraw/zinc/72/62/27/542726227.db2.gz OFUSJHSPZPQVRR-KGLIPLIRSA-N 1 0 301.365 2.821 20 70 DFIDRO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000218675473 542879194 /nfs/dbraw/zinc/87/91/94/542879194.db2.gz PYQFMLQXVQRQHE-HZSPNIEDSA-N 1 0 317.433 2.950 20 70 DFIDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2C#N)C1)c1cnccn1 ZINC000159476943 145219529 /nfs/dbraw/zinc/21/95/29/145219529.db2.gz LDWOTXXSRHIUTI-GOEBONIOSA-N 1 0 307.401 2.668 20 70 DFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000159590121 145219874 /nfs/dbraw/zinc/21/98/74/145219874.db2.gz KVJRGNFZKNEKHX-GXSJLCMTSA-N 1 0 318.314 2.930 20 70 DFIDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(O)cc1Cl ZINC000159570005 145220207 /nfs/dbraw/zinc/22/02/07/145220207.db2.gz MVXJFAYXKVEDKE-ZDUSSCGKSA-N 1 0 324.852 2.969 20 70 DFIDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@H]([NH3+])C(C)C)cc1 ZINC000161103043 292235867 /nfs/dbraw/zinc/23/58/67/292235867.db2.gz GQZABGWISMJXBU-BBWFWOEESA-N 1 0 304.434 2.562 20 70 DFIDRO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc2c(c1)OCCO2 ZINC000159499720 286906654 /nfs/dbraw/zinc/90/66/54/286906654.db2.gz DWHFNSRYBUUYFU-OAHLLOKOSA-N 1 0 318.417 2.511 20 70 DFIDRO [NH3+]C[C@@H]1CCCN1Cc1ccc(Br)c2cccnc12 ZINC000160383685 425980689 /nfs/dbraw/zinc/98/06/89/425980689.db2.gz FYBVSFVAQBIFQX-LBPRGKRZSA-N 1 0 320.234 2.920 20 70 DFIDRO C[C@@H](C(=O)N(C)CCC1CCOCC1)[C@H]([NH3+])c1ccccc1 ZINC000160353106 425980853 /nfs/dbraw/zinc/98/08/53/425980853.db2.gz CUDDDGSZUXFKRY-PBHICJAKSA-N 1 0 304.434 2.598 20 70 DFIDRO C[NH2+]CCN(C)Cc1ccc(Br)c2cccnc12 ZINC000160381845 425980976 /nfs/dbraw/zinc/98/09/76/425980976.db2.gz WRUNFVGFWQPMHQ-UHFFFAOYSA-N 1 0 308.223 2.649 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1OC(F)F)CC2 ZINC000160416793 425981856 /nfs/dbraw/zinc/98/18/56/425981856.db2.gz RUGLVTVADYMYFC-ZYHUDNBSSA-N 1 0 322.359 2.854 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000160414192 425981887 /nfs/dbraw/zinc/98/18/87/425981887.db2.gz CHBBWPZKIYBGTK-LBPRGKRZSA-N 1 0 310.825 2.525 20 70 DFIDRO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1OC ZINC000160428465 425982271 /nfs/dbraw/zinc/98/22/71/425982271.db2.gz IGZIRVKQGFBCQW-CQSZACIVSA-N 1 0 320.433 2.554 20 70 DFIDRO COc1cccc(Cl)c1CC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000160435474 425982904 /nfs/dbraw/zinc/98/29/04/425982904.db2.gz TWHRLSSAARDOMV-QWHCGFSZSA-N 1 0 322.836 2.586 20 70 DFIDRO COc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c(OC)c1OC ZINC000160462094 425983070 /nfs/dbraw/zinc/98/30/70/425983070.db2.gz FLBPWMPUHPECBK-CYBMUJFWSA-N 1 0 309.406 2.760 20 70 DFIDRO CCc1ccc(C(=O)CCC(=O)NCC([NH3+])(CC)CC)cc1 ZINC000160455187 425983187 /nfs/dbraw/zinc/98/31/87/425983187.db2.gz SDNDLLFFERJUDS-UHFFFAOYSA-N 1 0 304.434 2.846 20 70 DFIDRO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000160471536 425983770 /nfs/dbraw/zinc/98/37/70/425983770.db2.gz SINYMZYDHFXZSX-CYBMUJFWSA-N 1 0 309.406 2.760 20 70 DFIDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160524374 425985220 /nfs/dbraw/zinc/98/52/20/425985220.db2.gz DDMMZHIDUAGRGQ-RHSMWYFYSA-N 1 0 312.417 2.577 20 70 DFIDRO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160524504 425985275 /nfs/dbraw/zinc/98/52/75/425985275.db2.gz DDMMZHIDUAGRGQ-WMLDXEAASA-N 1 0 312.417 2.577 20 70 DFIDRO C[C@@H](CC(=O)NC1(c2cccc(F)c2)CC1)C1CC[NH2+]CC1 ZINC000160524874 425985633 /nfs/dbraw/zinc/98/56/33/425985633.db2.gz MFQRYSVLXLDRKP-ZDUSSCGKSA-N 1 0 304.409 2.957 20 70 DFIDRO CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160526994 425985697 /nfs/dbraw/zinc/98/56/97/425985697.db2.gz WNARQSYWUCYUSS-TZMCWYRMSA-N 1 0 300.406 2.651 20 70 DFIDRO O=C(CCSc1ccccc1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160534968 425985893 /nfs/dbraw/zinc/98/58/93/425985893.db2.gz YCOAKAWDBXUFIW-BETUJISGSA-N 1 0 308.422 2.661 20 70 DFIDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)c1ccc(C)cc1 ZINC000160541572 425986861 /nfs/dbraw/zinc/98/68/61/425986861.db2.gz BSQYAMAQLFZYPD-UHFFFAOYSA-N 1 0 304.434 2.758 20 70 DFIDRO CC(C)C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000160559472 425987572 /nfs/dbraw/zinc/98/75/72/425987572.db2.gz BROFNMWPUYGPQN-HZPDHXFCSA-N 1 0 324.852 2.922 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)COc2ccc(C)c(C)c2)CC1 ZINC000161034299 426005803 /nfs/dbraw/zinc/00/58/03/426005803.db2.gz ZEEQWVKXHKOCFJ-UHFFFAOYSA-N 1 0 304.434 2.530 20 70 DFIDRO CC(C)c1ccc(OCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160659722 425990511 /nfs/dbraw/zinc/99/05/11/425990511.db2.gz FVQOOBKSINZATL-CALCHBBNSA-N 1 0 316.445 2.932 20 70 DFIDRO CC(=O)Nc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160733690 425994036 /nfs/dbraw/zinc/99/40/36/425994036.db2.gz WXLSHRQLVUWDMC-AEFFLSMTSA-N 1 0 302.418 2.772 20 70 DFIDRO COC[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)C(C)C ZINC000160752870 425994088 /nfs/dbraw/zinc/99/40/88/425994088.db2.gz WRPWOHSYQFZJBZ-DLBZAZTESA-N 1 0 304.434 2.611 20 70 DFIDRO C[C@]1(CNc2nccnc2C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000160793624 425996860 /nfs/dbraw/zinc/99/68/60/425996860.db2.gz XKAYHDGZOWTXEL-GOSISDBHSA-N 1 0 307.401 2.815 20 70 DFIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000160836030 425997566 /nfs/dbraw/zinc/99/75/66/425997566.db2.gz PNXXWGWHORGWSV-WXHSDQCUSA-N 1 0 302.340 2.650 20 70 DFIDRO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCC[NH2+]CC1 ZINC000160855814 425998511 /nfs/dbraw/zinc/99/85/11/425998511.db2.gz HYZIEECJZNLGLJ-HNNXBMFYSA-N 1 0 303.450 2.887 20 70 DFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccn(CCC(C)C)n1 ZINC000160865610 425998966 /nfs/dbraw/zinc/99/89/66/425998966.db2.gz OZROCZUQCYWPAE-AWEZNQCLSA-N 1 0 309.458 2.781 20 70 DFIDRO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000160903470 425999833 /nfs/dbraw/zinc/99/98/33/425999833.db2.gz BAVMPFJMKHDKAX-LZQZEXGQSA-N 1 0 308.425 2.961 20 70 DFIDRO C[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)N(C)Cc1ccccc1 ZINC000160894080 425999853 /nfs/dbraw/zinc/99/98/53/425999853.db2.gz AYCPYLROKHEHHB-YJBOKZPZSA-N 1 0 312.461 2.908 20 70 DFIDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1Cl ZINC000160891616 426000885 /nfs/dbraw/zinc/00/08/85/426000885.db2.gz MXWIOOKTPBELFP-CJNGLKHVSA-N 1 0 324.852 2.501 20 70 DFIDRO C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cncc(F)c1 ZINC000160950682 426002878 /nfs/dbraw/zinc/00/28/78/426002878.db2.gz AUJLVOLFTWUWPM-GFCCVEGCSA-N 1 0 322.405 2.616 20 70 DFIDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161000337 426003697 /nfs/dbraw/zinc/00/36/97/426003697.db2.gz UUYHKUKAINFODG-GDBMZVCRSA-N 1 0 310.482 2.506 20 70 DFIDRO COc1ccc(CNC(=O)C[NH2+][C@H]2c3ccccc3C[C@@H]2C)cc1 ZINC000160975069 426004639 /nfs/dbraw/zinc/00/46/39/426004639.db2.gz FIWMCZKHLNCFAZ-VBKZILBWSA-N 1 0 324.424 2.835 20 70 DFIDRO C[C@@H]1C[N@H+](CCOc2cccc(Br)c2)CC[C@@H]1O ZINC000159471770 425960055 /nfs/dbraw/zinc/96/00/55/425960055.db2.gz OXWCSIDLBAIBBP-RISCZKNCSA-N 1 0 314.223 2.531 20 70 DFIDRO COc1ccccc1[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000159465521 425960580 /nfs/dbraw/zinc/96/05/80/425960580.db2.gz QGAIEXIDAAJUFM-IBGZPJMESA-N 1 0 324.424 2.900 20 70 DFIDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000159536931 425961781 /nfs/dbraw/zinc/96/17/81/425961781.db2.gz VZFDCBLAWXXCJH-AOIWGVFYSA-N 1 0 316.445 2.721 20 70 DFIDRO [NH3+]C1(CNC(=O)CCCOc2ccc(F)cc2)CCCCC1 ZINC000159518087 425962411 /nfs/dbraw/zinc/96/24/11/425962411.db2.gz GQEDPGDEPWQJEK-UHFFFAOYSA-N 1 0 308.397 2.763 20 70 DFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000159592829 425963254 /nfs/dbraw/zinc/96/32/54/425963254.db2.gz OXNUPJALVYJUNO-GXTWGEPZSA-N 1 0 315.442 2.896 20 70 DFIDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000159696795 425965077 /nfs/dbraw/zinc/96/50/77/425965077.db2.gz ASGKOIIWFZAOIZ-RYUDHWBXSA-N 1 0 318.343 2.682 20 70 DFIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000159689426 425965677 /nfs/dbraw/zinc/96/56/77/425965677.db2.gz HMIRHFACBSITSC-WCQYABFASA-N 1 0 304.287 2.687 20 70 DFIDRO COc1cccc(C[NH+]2CCC(CC(N)=O)CC2)c1OC(C)C ZINC000159812670 425967841 /nfs/dbraw/zinc/96/78/41/425967841.db2.gz IHNWESUAGOEXSG-UHFFFAOYSA-N 1 0 320.433 2.570 20 70 DFIDRO Cc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1Br ZINC000159800422 425968271 /nfs/dbraw/zinc/96/82/71/425968271.db2.gz XCJDVRANFUXRLA-CYBMUJFWSA-N 1 0 311.223 2.567 20 70 DFIDRO CC(C)c1ccc(OCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159793142 425968305 /nfs/dbraw/zinc/96/83/05/425968305.db2.gz JRAJENDXQUFDRM-IYBDPMFKSA-N 1 0 302.418 2.542 20 70 DFIDRO Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159823323 425968995 /nfs/dbraw/zinc/96/89/95/425968995.db2.gz GSOIMTMCMCJQCJ-OAHLLOKOSA-N 1 0 303.431 2.759 20 70 DFIDRO CCC(CC)c1cc(CNC(=O)N2CCC[N@H+](CC)CC2)on1 ZINC000159911827 425970002 /nfs/dbraw/zinc/97/00/02/425970002.db2.gz WUHFEAAHSLUBCI-UHFFFAOYSA-N 1 0 322.453 2.815 20 70 DFIDRO C[C@@H](C1CC1)N(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159929965 425970331 /nfs/dbraw/zinc/97/03/31/425970331.db2.gz GDBVIJBVHLRUBY-VKJFTORMSA-N 1 0 315.461 2.947 20 70 DFIDRO C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCOC1 ZINC000159969551 425971522 /nfs/dbraw/zinc/97/15/22/425971522.db2.gz UQUAGKUYJROMTR-JSGCOSHPSA-N 1 0 308.388 2.665 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000160012756 425972561 /nfs/dbraw/zinc/97/25/61/425972561.db2.gz JOIFLFOUBQTJDK-INIZCTEOSA-N 1 0 323.481 2.606 20 70 DFIDRO O=C(c1cc(F)cc(C(F)(F)F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160030133 425973101 /nfs/dbraw/zinc/97/31/01/425973101.db2.gz AEUAXTUUHYHSCN-BETUJISGSA-N 1 0 316.298 2.811 20 70 DFIDRO COC[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)C(C)C ZINC000160022190 425973148 /nfs/dbraw/zinc/97/31/48/425973148.db2.gz FDHBICYPLCFCFY-CQSZACIVSA-N 1 0 310.404 2.911 20 70 DFIDRO Cn1cccc1CNc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000160169448 425975051 /nfs/dbraw/zinc/97/50/51/425975051.db2.gz TYUAIRVSSTUBJV-UHFFFAOYSA-N 1 0 300.406 2.505 20 70 DFIDRO CCCCN(C(=O)C[C@H]1C[NH2+]CCO1)[C@H](C)c1ccccc1 ZINC000160183998 425976715 /nfs/dbraw/zinc/97/67/15/425976715.db2.gz CNONZTPSPBQCFV-WBVHZDCISA-N 1 0 304.434 2.755 20 70 DFIDRO CC[C@@H]([NH2+][C@@H](CCO)CSC)c1ccc(OC)c(OC)c1 ZINC000160243611 425977143 /nfs/dbraw/zinc/97/71/43/425977143.db2.gz KHWHIOOTMKFVGU-UONOGXRCSA-N 1 0 313.463 2.859 20 70 DFIDRO O=C(NCCc1cccc(O)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160239674 425977525 /nfs/dbraw/zinc/97/75/25/425977525.db2.gz JNDVVDYACKJLFT-LJQANCHMSA-N 1 0 324.424 2.716 20 70 DFIDRO CC[C@@H]([NH2+][C@H](CCO)CSC)c1ccc2c(c1)OCCO2 ZINC000160227110 425978357 /nfs/dbraw/zinc/97/83/57/425978357.db2.gz AAEQLMMGGLINOC-ZIAGYGMSSA-N 1 0 311.447 2.613 20 70 DFIDRO CCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)s1 ZINC000160316046 425979860 /nfs/dbraw/zinc/97/98/60/425979860.db2.gz HPMBPQYNWUXGSB-SKDRFNHKSA-N 1 0 305.451 2.579 20 70 DFIDRO CO[C@H](CNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1cccc(Cl)c1 ZINC000161408521 426022644 /nfs/dbraw/zinc/02/26/44/426022644.db2.gz RXYDRUOTADHSGI-IPQWEPCOSA-N 1 0 322.836 2.517 20 70 DFIDRO COCC(C)(C)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000161409757 426022713 /nfs/dbraw/zinc/02/27/13/426022713.db2.gz QGWHQOHXTTYVGT-UHFFFAOYSA-N 1 0 310.482 2.774 20 70 DFIDRO CN1CCC([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000161450930 426024174 /nfs/dbraw/zinc/02/41/74/426024174.db2.gz JDRCVYCZUFTQMW-UHFFFAOYSA-N 1 0 321.896 2.988 20 70 DFIDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2N2CCOCC2)C(C)(C)O1 ZINC000161470596 426025231 /nfs/dbraw/zinc/02/52/31/426025231.db2.gz CQSWPUNYAOOZFS-KRWDZBQOSA-N 1 0 318.461 2.959 20 70 DFIDRO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000161045371 426006434 /nfs/dbraw/zinc/00/64/34/426006434.db2.gz VZYGJKVCCQUTKH-CQSZACIVSA-N 1 0 316.361 2.741 20 70 DFIDRO CC[C@H](C)NC(=O)c1cccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000161086670 426008159 /nfs/dbraw/zinc/00/81/59/426008159.db2.gz BLKCATVLLWAODY-MPGHIAIKSA-N 1 0 317.477 2.645 20 70 DFIDRO [NH3+]CCCOC1CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000161151542 426010695 /nfs/dbraw/zinc/01/06/95/426010695.db2.gz PFFDTXOVSGYXLP-UHFFFAOYSA-N 1 0 300.805 2.809 20 70 DFIDRO C(=[NH+]/OCc1nccs1)\c1ccc(N2CCOCC2)cc1 ZINC000161163162 426011358 /nfs/dbraw/zinc/01/13/58/426011358.db2.gz VZZRMWMXDFVPSO-GZTJUZNOSA-N 1 0 303.387 2.530 20 70 DFIDRO CCc1ncc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000161194994 426012545 /nfs/dbraw/zinc/01/25/45/426012545.db2.gz LBYCRHPPJDOWJS-UHFFFAOYSA-N 1 0 317.437 2.521 20 70 DFIDRO OCCCC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161196464 426012706 /nfs/dbraw/zinc/01/27/06/426012706.db2.gz RLJXQCCMTLCPMG-KGLIPLIRSA-N 1 0 303.324 2.586 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000161215133 426013945 /nfs/dbraw/zinc/01/39/45/426013945.db2.gz LQPXQMOPPGPAKW-CYBMUJFWSA-N 1 0 322.449 2.516 20 70 DFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000161211094 426013954 /nfs/dbraw/zinc/01/39/54/426013954.db2.gz FPNLBMUHEWKXHS-YJBOKZPZSA-N 1 0 313.449 2.792 20 70 DFIDRO COc1ccc(C)cc1CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161234046 426013970 /nfs/dbraw/zinc/01/39/70/426013970.db2.gz ACTFVLLUMMSXSL-UHFFFAOYSA-N 1 0 304.434 2.583 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000161212005 426014044 /nfs/dbraw/zinc/01/40/44/426014044.db2.gz BKRFXAGJKPLWIJ-UHFFFAOYSA-N 1 0 301.434 2.900 20 70 DFIDRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCN(C)CC1 ZINC000161255192 426014808 /nfs/dbraw/zinc/01/48/08/426014808.db2.gz YJGISHMVMAVELA-OAHLLOKOSA-N 1 0 313.486 2.610 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000161255024 426014825 /nfs/dbraw/zinc/01/48/25/426014825.db2.gz VYNLVZFEVKTGJP-GWCFXTLKSA-N 1 0 311.223 2.567 20 70 DFIDRO CO[C@@H](C(=O)N1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000161267581 426015875 /nfs/dbraw/zinc/01/58/75/426015875.db2.gz JXSVPFPLYPKPQV-RTBURBONSA-N 1 0 324.424 2.889 20 70 DFIDRO Cc1ccc(C)c([C@@H]2CN(C(=O)C[C@@H]3CCC[NH2+]3)[C@@H](C)CO2)c1 ZINC000161275781 426016401 /nfs/dbraw/zinc/01/64/01/426016401.db2.gz JTIMQVXPPCNEJC-BQFCYCMXSA-N 1 0 316.445 2.734 20 70 DFIDRO CCC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)[NH+](C)C ZINC000161281011 426017147 /nfs/dbraw/zinc/01/71/47/426017147.db2.gz QUMONAUAHHBFGQ-IUODEOHRSA-N 1 0 308.422 2.611 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000161298938 426017616 /nfs/dbraw/zinc/01/76/16/426017616.db2.gz HDBNATHKLGCNBW-PPGNKHEKSA-N 1 0 310.344 2.512 20 70 DFIDRO Cc1ccc(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cn1 ZINC000161318798 426018054 /nfs/dbraw/zinc/01/80/54/426018054.db2.gz CLMJCSPNEOGOGB-CYBMUJFWSA-N 1 0 319.430 2.612 20 70 DFIDRO CCn1cnnc1[C@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000161328224 426018346 /nfs/dbraw/zinc/01/83/46/426018346.db2.gz DGMPOYKXVWXXHN-AWEZNQCLSA-N 1 0 318.396 2.696 20 70 DFIDRO Cc1cnccc1CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000161321052 426018519 /nfs/dbraw/zinc/01/85/19/426018519.db2.gz QAPFAAIUXCVRMB-INIZCTEOSA-N 1 0 320.481 2.598 20 70 DFIDRO CCn1cnnc1[C@@H]1CCC[N@H+](CCOc2cccc(C)c2)C1 ZINC000161327822 426018855 /nfs/dbraw/zinc/01/88/55/426018855.db2.gz XIBGEZNNVSYJKX-MRXNPFEDSA-N 1 0 314.433 2.865 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000161339268 426019600 /nfs/dbraw/zinc/01/96/00/426019600.db2.gz PRZDKVMJRVQUFQ-CHWSQXEVSA-N 1 0 310.825 2.626 20 70 DFIDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1ccc(F)cc1F ZINC000161331410 426019618 /nfs/dbraw/zinc/01/96/18/426019618.db2.gz SFUSLQIKNNRJIF-OAHLLOKOSA-N 1 0 312.404 2.990 20 70 DFIDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(N(C)C)cc1F ZINC000161330297 426019624 /nfs/dbraw/zinc/01/96/24/426019624.db2.gz LMYIWAFCNKQZHS-ZDUSSCGKSA-N 1 0 309.429 2.598 20 70 DFIDRO CC(=O)NC1CCC([NH2+]CCOc2c(C)cccc2C)CC1 ZINC000161331940 426019723 /nfs/dbraw/zinc/01/97/23/426019723.db2.gz ZXYFDGRKTNPPIX-UHFFFAOYSA-N 1 0 304.434 2.719 20 70 DFIDRO CCC[C@@H](C(=O)Nc1ccc(/C=C/C(=O)OCC)cc1)[NH+](C)C ZINC000161344661 426020314 /nfs/dbraw/zinc/02/03/14/426020314.db2.gz GOEUGKFMROAPGY-ISBHARSQSA-N 1 0 318.417 2.932 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000161354755 426021087 /nfs/dbraw/zinc/02/10/87/426021087.db2.gz NHEZJUMPBONHDJ-IACUBPJLSA-N 1 0 324.371 2.602 20 70 DFIDRO CN(CC[N@H+](C)CCc1ccncc1)Cc1ccc(F)cc1 ZINC000161355931 426021299 /nfs/dbraw/zinc/02/12/99/426021299.db2.gz MLCRFBWOPXDOSY-UHFFFAOYSA-N 1 0 301.409 2.827 20 70 DFIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)N2CCC[C@@H](C)C2)CC1 ZINC000161348032 426021428 /nfs/dbraw/zinc/02/14/28/426021428.db2.gz YBRIZOUBFFZPRF-ODIFPOPNSA-N 1 0 309.498 2.534 20 70 DFIDRO C[C@@]1(C(=O)Nc2ccc(-c3csnn3)cc2)CCC[NH2+]C1 ZINC000161380423 426021593 /nfs/dbraw/zinc/02/15/93/426021593.db2.gz KRWYVMRBSDLBNO-OAHLLOKOSA-N 1 0 302.403 2.533 20 70 DFIDRO CC(C)(C)OC(=O)NCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000218127005 426565151 /nfs/dbraw/zinc/56/51/51/426565151.db2.gz YOFAUAAXZMKJDP-UHFFFAOYSA-N 1 0 319.449 2.770 20 70 DFIDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(Br)cc1F ZINC000217853794 426565210 /nfs/dbraw/zinc/56/52/10/426565210.db2.gz JOIGIHRTJKCXBP-LBPRGKRZSA-N 1 0 322.243 2.792 20 70 DFIDRO CCCn1c(C[NH2+]C[C@](C)(O)CSC)nc2ccccc21 ZINC000217855368 426566253 /nfs/dbraw/zinc/56/62/53/426566253.db2.gz LMMXSXDKJKNERY-INIZCTEOSA-N 1 0 307.463 2.650 20 70 DFIDRO C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000160905019 274617561 /nfs/dbraw/zinc/61/75/61/274617561.db2.gz BAVMPFJMKHDKAX-KFKAGJAMSA-N 1 0 308.425 2.961 20 70 DFIDRO CCC[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+](C)C ZINC000161281982 276037142 /nfs/dbraw/zinc/03/71/42/276037142.db2.gz RNGFXLRSAORJNO-CYBMUJFWSA-N 1 0 305.447 2.985 20 70 DFIDRO CC1=C(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCO1 ZINC000160909920 276174621 /nfs/dbraw/zinc/17/46/21/276174621.db2.gz QFLTWCAUUKVXEB-YOEHRIQHSA-N 1 0 304.434 2.546 20 70 DFIDRO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCc3nc(C)nn3C1)CCC2 ZINC000160443714 276692691 /nfs/dbraw/zinc/69/26/91/276692691.db2.gz BOOFKMIJHYGRFX-VXGBXAGGSA-N 1 0 317.462 2.587 20 70 DFIDRO COC(=O)C1=NOC2(C1)CC[NH+](CC1CCCCCC1)CC2 ZINC000161276412 277051691 /nfs/dbraw/zinc/05/16/91/277051691.db2.gz DUZIJBBJEUEEGV-UHFFFAOYSA-N 1 0 308.422 2.741 20 70 DFIDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159621571 277075707 /nfs/dbraw/zinc/07/57/07/277075707.db2.gz HZJPSDYQKFTCDS-BBWFWOEESA-N 1 0 300.402 2.692 20 70 DFIDRO CC(C)c1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000159605527 278036916 /nfs/dbraw/zinc/03/69/16/278036916.db2.gz KAXZVXFYBQVIQO-GXTWGEPZSA-N 1 0 319.405 2.804 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 ZINC000161341343 278088756 /nfs/dbraw/zinc/08/87/56/278088756.db2.gz NWGCNIZGKCLFBJ-LTDKPHRXSA-N 1 0 309.498 2.534 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000161294366 278131338 /nfs/dbraw/zinc/13/13/38/278131338.db2.gz RTPUWOJNHITMQX-SQWLQELKSA-N 1 0 306.475 2.780 20 70 DFIDRO CC[C@H]([NH2+]C[C@@H](C)N1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000159827458 288043487 /nfs/dbraw/zinc/04/34/87/288043487.db2.gz LKTJKOAEOJLARB-LZQZEXGQSA-N 1 0 302.462 2.838 20 70 DFIDRO CC(C)N(C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)C1CCCC1 ZINC000161139771 279284167 /nfs/dbraw/zinc/28/41/67/279284167.db2.gz PGPLFMBGMULYLW-VQIMIIECSA-N 1 0 322.493 2.793 20 70 DFIDRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)[C@@H](O)c1ccc(F)cc1 ZINC000161496368 279453703 /nfs/dbraw/zinc/45/37/03/279453703.db2.gz CVSWEDOBVAKBHH-BLLLJJGKSA-N 1 0 309.381 2.523 20 70 DFIDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C[C@@H]1C ZINC000161489701 279619890 /nfs/dbraw/zinc/61/98/90/279619890.db2.gz XGCDFZFMNIQFQZ-FZKCQIBNSA-N 1 0 322.449 2.840 20 70 DFIDRO Cc1nc(N2CCC[C@@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000160438287 293295382 /nfs/dbraw/zinc/29/53/82/293295382.db2.gz XKTFBKYCFUNLMJ-CQSZACIVSA-N 1 0 304.394 2.753 20 70 DFIDRO CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159456575 295377059 /nfs/dbraw/zinc/37/70/59/295377059.db2.gz MDBCHSBKVJKPMK-HOCLYGCPSA-N 1 0 304.438 2.516 20 70 DFIDRO CCN(CC[NH2+][C@H](C)C1CCOCC1)C(=O)OC(C)(C)C ZINC000159506383 295377857 /nfs/dbraw/zinc/37/78/57/295377857.db2.gz DKLVHODUVYJJRC-CYBMUJFWSA-N 1 0 300.443 2.648 20 70 DFIDRO Cc1cc(C)c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)[nH]1 ZINC000159642171 295379594 /nfs/dbraw/zinc/37/95/94/295379594.db2.gz UZXSYOLWIZHRPR-HNNXBMFYSA-N 1 0 303.381 2.803 20 70 DFIDRO CCCCn1ncc(NC(=O)NCC[N@H+](C)[C@@H](C)CC)c1C ZINC000159689397 295380179 /nfs/dbraw/zinc/38/01/79/295380179.db2.gz WUVQPFDRJFKAKG-ZDUSSCGKSA-N 1 0 309.458 2.843 20 70 DFIDRO COCCC1(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000159673835 295380255 /nfs/dbraw/zinc/38/02/55/295380255.db2.gz OFYBHDZKWYMNQK-HUUCEWRRSA-N 1 0 310.482 2.676 20 70 DFIDRO CS[C@H](C)CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000159725099 295380636 /nfs/dbraw/zinc/38/06/36/295380636.db2.gz FXECMCJSDPRYFN-GZBFAFLISA-N 1 0 301.500 2.548 20 70 DFIDRO CC[C@H](C)OCC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159727358 295380644 /nfs/dbraw/zinc/38/06/44/295380644.db2.gz SYPZOPCXEUTINF-FUHWJXTLSA-N 1 0 318.461 2.925 20 70 DFIDRO CCCCn1ncc(NC(=O)NCC[N@H+](CC)CCC)c1C ZINC000159769750 295381673 /nfs/dbraw/zinc/38/16/73/295381673.db2.gz ZKLPQWFGOISNFF-UHFFFAOYSA-N 1 0 309.458 2.845 20 70 DFIDRO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000159786181 295381758 /nfs/dbraw/zinc/38/17/58/295381758.db2.gz SKXXRCKWGZZCMU-DJIMGWMZSA-N 1 0 318.486 2.828 20 70 DFIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1cccn1C ZINC000159833449 295382574 /nfs/dbraw/zinc/38/25/74/295382574.db2.gz FVPYVEKGKJICDU-INIZCTEOSA-N 1 0 320.481 2.821 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000159919047 295383478 /nfs/dbraw/zinc/38/34/78/295383478.db2.gz NZORCWZANJEQRW-GJZGRUSLSA-N 1 0 323.506 2.901 20 70 DFIDRO COc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1NC(C)=O ZINC000159974921 295384458 /nfs/dbraw/zinc/38/44/58/295384458.db2.gz TZHLWXZVLSXCPK-UHFFFAOYSA-N 1 0 309.369 2.815 20 70 DFIDRO CC(C)[NH2+]CCC(=O)NCCOc1cccc(C(C)(C)C)c1 ZINC000160108065 295386439 /nfs/dbraw/zinc/38/64/39/295386439.db2.gz SCXZVYUAQOCDLW-UHFFFAOYSA-N 1 0 306.450 2.867 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N(C)C)cc1F ZINC000160373107 295390253 /nfs/dbraw/zinc/39/02/53/295390253.db2.gz DTPBMDBDCUMWLD-OAHLLOKOSA-N 1 0 321.440 2.742 20 70 DFIDRO C[C@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)C1CCOCC1 ZINC000160369822 295390357 /nfs/dbraw/zinc/39/03/57/295390357.db2.gz BZOSHPIYXCKGMD-SUMWQHHRSA-N 1 0 322.424 2.607 20 70 DFIDRO CCc1c(C(=O)NCC[NH+](C(C)C)C(C)C)cnn1CC(C)C ZINC000160361344 295390449 /nfs/dbraw/zinc/39/04/49/295390449.db2.gz TWYCMDCRASFKHK-UHFFFAOYSA-N 1 0 322.497 2.950 20 70 DFIDRO C[N@H+](CC(=O)N[C@H]1CCCc2sccc21)[C@@H]1CCSC1 ZINC000160451464 295391564 /nfs/dbraw/zinc/39/15/64/295391564.db2.gz JDAVNUMKTPTWPR-YPMHNXCESA-N 1 0 310.488 2.679 20 70 DFIDRO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1F ZINC000160591426 295393502 /nfs/dbraw/zinc/39/35/02/295393502.db2.gz XAJBXRFMIHSPQP-CQSZACIVSA-N 1 0 308.397 2.685 20 70 DFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ncccc1F ZINC000160896102 295396232 /nfs/dbraw/zinc/39/62/32/295396232.db2.gz BQJRFFJEVVFKFG-CQSZACIVSA-N 1 0 322.428 2.530 20 70 DFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ncccc1F ZINC000160896254 295396298 /nfs/dbraw/zinc/39/62/98/295396298.db2.gz BQJRFFJEVVFKFG-AWEZNQCLSA-N 1 0 322.428 2.530 20 70 DFIDRO Cc1nn(C)cc1C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000161037387 295397648 /nfs/dbraw/zinc/39/76/48/295397648.db2.gz IAOXSEUHMUDGTG-GFCCVEGCSA-N 1 0 314.389 2.536 20 70 DFIDRO N#Cc1ccc(N2CCC[C@@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000160443043 303193472 /nfs/dbraw/zinc/19/34/72/303193472.db2.gz UWDPDSSLHVFTKU-OAHLLOKOSA-N 1 0 314.389 2.921 20 70 DFIDRO C[NH+]=C(NC[C@H]1CC=CCC1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000159959714 332867582 /nfs/dbraw/zinc/86/75/82/332867582.db2.gz VMKRBUIDFVRTLP-YESZJQIVSA-N 1 0 315.465 2.698 20 70 DFIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000160986434 519709032 /nfs/dbraw/zinc/70/90/32/519709032.db2.gz UEDUYLJVRKMQHS-OAHLLOKOSA-N 1 0 303.450 2.852 20 70 DFIDRO CC1(C)CCC(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000160309124 520291875 /nfs/dbraw/zinc/29/18/75/520291875.db2.gz GHYKMOSOBDWGQQ-MRXNPFEDSA-N 1 0 322.493 2.774 20 70 DFIDRO COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000160629416 522310320 /nfs/dbraw/zinc/31/03/20/522310320.db2.gz XXEWMXRWETVYHT-DLBZAZTESA-N 1 0 324.424 2.960 20 70 DFIDRO COc1cc(O)c(C[N@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000159771569 522772476 /nfs/dbraw/zinc/77/24/76/522772476.db2.gz PIXKSPBDYKEZBZ-UHFFFAOYSA-N 1 0 312.369 2.913 20 70 DFIDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1OC ZINC000160435923 522778512 /nfs/dbraw/zinc/77/85/12/522778512.db2.gz UGODZCHMQWDEEF-KDOFPFPSSA-N 1 0 321.417 2.536 20 70 DFIDRO CN(Cc1ccc(Br)c(F)c1)[C@H](C[NH3+])C1CC1 ZINC000159683885 523196265 /nfs/dbraw/zinc/19/62/65/523196265.db2.gz FVMMZCQIYHHXMU-CYBMUJFWSA-N 1 0 301.203 2.757 20 70 DFIDRO C[NH+]1CCC(C(=O)NC[C@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000159636669 523749989 /nfs/dbraw/zinc/74/99/89/523749989.db2.gz PBNYKEWXJCFIRL-YLJYHZDGSA-N 1 0 312.457 2.739 20 70 DFIDRO Cc1cc(C(=O)N2CCC[NH2+]CC2)c(C)n1-c1ccccc1C ZINC000160872218 526245589 /nfs/dbraw/zinc/24/55/89/526245589.db2.gz YCNWSARAPVTGAW-UHFFFAOYSA-N 1 0 311.429 2.838 20 70 DFIDRO Cc1nc(-c2ccccc2)ncc1C(=O)NCC1CC[NH+](C)CC1 ZINC000159909359 526598047 /nfs/dbraw/zinc/59/80/47/526598047.db2.gz TWAQCABSGJNPAS-UHFFFAOYSA-N 1 0 324.428 2.524 20 70 DFIDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4c5c([nH]c43)CCCC5)C[C@@H]21 ZINC000216961040 398345521 /nfs/dbraw/zinc/34/55/21/398345521.db2.gz CVMSARLQQXEWKN-ACJLOTCBSA-N 1 0 323.440 2.823 20 70 DFIDRO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000159646693 186132930 /nfs/dbraw/zinc/13/29/30/186132930.db2.gz LCVSTRWNZQWMAA-STQMWFEESA-N 1 0 308.447 2.898 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)cc1 ZINC000159648259 186133013 /nfs/dbraw/zinc/13/30/13/186133013.db2.gz VYEWZGOLJYFBSU-QWHCGFSZSA-N 1 0 321.446 2.626 20 70 DFIDRO O=C(/C=C/c1cncc(F)c1)NCC[NH2+]C1CCCCCC1 ZINC000159668079 186134124 /nfs/dbraw/zinc/13/41/24/186134124.db2.gz DTUOUNDHLHCLKT-BQYQJAHWSA-N 1 0 305.397 2.663 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000159674352 186134592 /nfs/dbraw/zinc/13/45/92/186134592.db2.gz FTLWOYPQSLVSBF-UMVBOHGHSA-N 1 0 311.447 2.556 20 70 DFIDRO CC(C)[C@H](C(=O)NCCCO[C@@H](C)c1ccccc1)[NH+](C)C ZINC000159702390 186136293 /nfs/dbraw/zinc/13/62/93/186136293.db2.gz QMMOOEADNIJIGZ-DOTOQJQBSA-N 1 0 306.450 2.857 20 70 DFIDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000159611148 398964715 /nfs/dbraw/zinc/96/47/15/398964715.db2.gz CPXILRXXURECMG-TZMCWYRMSA-N 1 0 308.447 2.898 20 70 DFIDRO COC(C)(C)C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000160238554 398968907 /nfs/dbraw/zinc/96/89/07/398968907.db2.gz VRYOSYUCRVHLIG-NSHDSACASA-N 1 0 322.232 2.748 20 70 DFIDRO CN(C)[C@H](C[NH2+]C1CCN(CC(F)F)CC1)C1CCCCC1 ZINC000160403964 398970310 /nfs/dbraw/zinc/97/03/10/398970310.db2.gz CVVJUPKYNJVHBI-MRXNPFEDSA-N 1 0 317.468 2.816 20 70 DFIDRO CC[C@H]([NH2+]CCc1cc(OC)ccc1OC)c1cnn(C)c1 ZINC000161412051 197492206 /nfs/dbraw/zinc/49/22/06/197492206.db2.gz QIBLUGJKVRWOMN-INIZCTEOSA-N 1 0 303.406 2.721 20 70 DFIDRO CCN(CC[NH2+]C1CCC(NC(C)=O)CC1)c1ccccc1C ZINC000161294558 197482617 /nfs/dbraw/zinc/48/26/17/197482617.db2.gz FWGRGMNZMVFJGA-UHFFFAOYSA-N 1 0 317.477 2.858 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)C[C@H](C)Cc1ccccc1OC ZINC000160420443 197409306 /nfs/dbraw/zinc/40/93/06/197409306.db2.gz ZVRNNYQVFFGQCH-CQSZACIVSA-N 1 0 306.450 2.898 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1cc(C)nc2c1cnn2C(C)C ZINC000160411937 197407936 /nfs/dbraw/zinc/40/79/36/197407936.db2.gz ALFIFISLSQSGDF-UHFFFAOYSA-N 1 0 317.437 2.568 20 70 DFIDRO CC(C)[NH+]1CCC(NC(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC000160240898 197395044 /nfs/dbraw/zinc/39/50/44/197395044.db2.gz WQLOQVHGWLGNGY-AWEZNQCLSA-N 1 0 323.462 2.597 20 70 DFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)C[C@H](O)c1ccccc1 ZINC000160234040 197394751 /nfs/dbraw/zinc/39/47/51/197394751.db2.gz RXQDWOFPNIQCGW-VYDXJSESSA-N 1 0 321.465 2.528 20 70 DFIDRO CCCCn1ncc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000160256159 197395555 /nfs/dbraw/zinc/39/55/55/197395555.db2.gz MCAKRNLNZYFENG-HIFRSBDPSA-N 1 0 321.469 2.938 20 70 DFIDRO COc1ccc2cc([C@H](C)C(=O)N3CCC[C@H]3C[NH3+])ccc2c1 ZINC000160193471 197392084 /nfs/dbraw/zinc/39/20/84/197392084.db2.gz KKEGMRPZUOHLKV-GUYCJALGSA-N 1 0 312.413 2.902 20 70 DFIDRO CC(C)[NH+]1CCC(NC(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000160241016 197394480 /nfs/dbraw/zinc/39/44/80/197394480.db2.gz WQLOQVHGWLGNGY-CQSZACIVSA-N 1 0 323.462 2.597 20 70 DFIDRO CN(Cc1nc(-c2ccc(Cl)cc2)no1)[C@H](C[NH3+])C1CC1 ZINC000160066056 197383367 /nfs/dbraw/zinc/38/33/67/197383367.db2.gz FPHRRBBPYLGQOV-CYBMUJFWSA-N 1 0 306.797 2.559 20 70 DFIDRO O=C(NCCCO[C@@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000160125303 197388374 /nfs/dbraw/zinc/38/83/74/197388374.db2.gz PPINZAQIKGMWRM-SJLPKXTDSA-N 1 0 316.445 2.587 20 70 DFIDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000160108204 197386151 /nfs/dbraw/zinc/38/61/51/197386151.db2.gz INCZZDQYOSLYDS-ZNMIVQPWSA-N 1 0 308.397 2.535 20 70 DFIDRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000160101501 197386122 /nfs/dbraw/zinc/38/61/22/197386122.db2.gz PGPJYIJSKXPIKP-YOEHRIQHSA-N 1 0 304.434 2.731 20 70 DFIDRO CC(C)Oc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)cn1 ZINC000160105500 197385901 /nfs/dbraw/zinc/38/59/01/197385901.db2.gz KYRRCYARNRUIHR-OAHLLOKOSA-N 1 0 300.406 2.770 20 70 DFIDRO CC(C)([NH3+])CNC(=O)c1cccc(COc2cccc(F)c2)c1 ZINC000160026446 197380349 /nfs/dbraw/zinc/38/03/49/197380349.db2.gz AAJUUJRFCRQDAA-UHFFFAOYSA-N 1 0 316.376 2.872 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2cccnc2)C(C)C)CC1 ZINC000159958004 197376224 /nfs/dbraw/zinc/37/62/24/197376224.db2.gz GMWAKMZYTDRQGF-QGZVFWFLSA-N 1 0 318.465 2.558 20 70 DFIDRO Cc1nc(-c2ccccc2)ncc1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000159913385 197373108 /nfs/dbraw/zinc/37/31/08/197373108.db2.gz VLAMHUIPIAAZDT-MRXNPFEDSA-N 1 0 324.428 2.618 20 70 DFIDRO C[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000159885647 197370813 /nfs/dbraw/zinc/37/08/13/197370813.db2.gz QZLDQKCBPAFYFH-SFHVURJKSA-N 1 0 324.403 2.568 20 70 DFIDRO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCn2ccnc2)CC1 ZINC000159852401 197369128 /nfs/dbraw/zinc/36/91/28/197369128.db2.gz SCCAIXYHTUYYKN-OAHLLOKOSA-N 1 0 318.852 2.915 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCc2nc(C(C)(C)C)cs2)CC1 ZINC000159825594 197366975 /nfs/dbraw/zinc/36/69/75/197366975.db2.gz DVXCIVQRUBIEEH-UHFFFAOYSA-N 1 0 324.494 2.678 20 70 DFIDRO C[C@H](C(=O)NC1CCCC1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159814309 197366052 /nfs/dbraw/zinc/36/60/52/197366052.db2.gz KGWTXERZJWTRKB-CQSZACIVSA-N 1 0 303.450 2.632 20 70 DFIDRO C[N@H+](CCn1ccnc1)Cc1csc(Br)c1 ZINC000159775563 197363185 /nfs/dbraw/zinc/36/31/85/197363185.db2.gz YWDDSCNHRXFKQA-UHFFFAOYSA-N 1 0 300.225 2.839 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000159505171 197358731 /nfs/dbraw/zinc/35/87/31/197358731.db2.gz LUNILUTVOUKUJM-LBPRGKRZSA-N 1 0 311.376 2.763 20 70 DFIDRO COC(=O)C1([N@H+](C)CCC(=O)Nc2ccccc2F)CCCC1 ZINC000159456780 197355337 /nfs/dbraw/zinc/35/53/37/197355337.db2.gz ZQEWMWVOGILYGU-UHFFFAOYSA-N 1 0 322.380 2.572 20 70 DFIDRO COc1ccc(S[C@@H](C)C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159461712 197354921 /nfs/dbraw/zinc/35/49/21/197354921.db2.gz HGUJIOKYJMRBMD-ZDUSSCGKSA-N 1 0 322.474 2.954 20 70 DFIDRO C[C@H](CNC(=O)CCc1ccc(F)cc1F)C[NH+]1CCCC1 ZINC000159379852 197349579 /nfs/dbraw/zinc/34/95/79/197349579.db2.gz OVWAEXQRMNLHFU-CYBMUJFWSA-N 1 0 310.388 2.746 20 70 DFIDRO Cc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000159500358 542717431 /nfs/dbraw/zinc/71/74/31/542717431.db2.gz YSTVDGSAIQUGHY-PBHICJAKSA-N 1 0 314.433 2.871 20 70 DFIDRO Cc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000159500494 542717534 /nfs/dbraw/zinc/71/75/34/542717534.db2.gz YSTVDGSAIQUGHY-WMLDXEAASA-N 1 0 314.433 2.871 20 70 DFIDRO CCCCn1ncc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000160177227 542720679 /nfs/dbraw/zinc/72/06/79/542720679.db2.gz PPZLXHVYPBMUHK-CABCVRRESA-N 1 0 319.453 2.692 20 70 DFIDRO Brc1ccc(C[NH2+][C@@H]2CCOC2)c2ncccc12 ZINC000160336529 542723041 /nfs/dbraw/zinc/72/30/41/542723041.db2.gz QRAHDHCBQTUVKA-LLVKDONJSA-N 1 0 307.191 2.876 20 70 DFIDRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161065283 542727151 /nfs/dbraw/zinc/72/71/51/542727151.db2.gz XETFAQFQSMXNEC-PMPSAXMXSA-N 1 0 316.445 2.891 20 70 DFIDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC(C)(C)CO ZINC000161233914 542727602 /nfs/dbraw/zinc/72/76/02/542727602.db2.gz CWJNBGUVNNUGHO-NSHDSACASA-N 1 0 300.240 2.988 20 70 DFIDRO COc1ccccc1CC(C)(C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161264368 542727945 /nfs/dbraw/zinc/72/79/45/542727945.db2.gz MACOCHOLFLUNOV-HUUCEWRRSA-N 1 0 304.434 2.650 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(F)ccc2Br)C1 ZINC000161349723 542728631 /nfs/dbraw/zinc/72/86/31/542728631.db2.gz SSTUHTCEDHPPSM-ZJUUUORDSA-N 1 0 315.186 2.588 20 70 DFIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(C)ncn1 ZINC000161311914 542728886 /nfs/dbraw/zinc/72/88/86/542728886.db2.gz KSPQDQIQZBROLK-UHFFFAOYSA-N 1 0 312.417 2.557 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(Oc3ccccc3)nc2)C1 ZINC000161440365 542729709 /nfs/dbraw/zinc/72/97/09/542729709.db2.gz FTUXRIBENJEYCE-LSDHHAIUSA-N 1 0 311.385 2.874 20 70 DFIDRO CCC[C@@H](C(=O)Nc1cccc(Cn2cccn2)c1)[NH+](C)C ZINC000161509451 542730334 /nfs/dbraw/zinc/73/03/34/542730334.db2.gz XYOAFUFVPVKDKW-INIZCTEOSA-N 1 0 300.406 2.600 20 70 DFIDRO CC(C)(C)n1nc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1C1CC1 ZINC000161508652 542730489 /nfs/dbraw/zinc/73/04/89/542730489.db2.gz FFVOUBONTWBWSF-OLZOCXBDSA-N 1 0 304.438 2.515 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2c[nH]nc2-c2ccccc2Cl)C1 ZINC000160789691 542724480 /nfs/dbraw/zinc/72/44/80/542724480.db2.gz PQCYAHKBGGCYGJ-GHMZBOCLSA-N 1 0 318.808 2.730 20 70 DFIDRO Cc1cc(Br)ccc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160888226 542725018 /nfs/dbraw/zinc/72/50/18/542725018.db2.gz ZYDUIOMDBQSIMN-NWDGAFQWSA-N 1 0 311.223 2.757 20 70 DFIDRO CC[C@@H](CCO)[NH2+]Cc1ccc(I)cc1 ZINC000217850971 145999994 /nfs/dbraw/zinc/99/99/94/145999994.db2.gz VCPBDNPNQWSRPY-LBPRGKRZSA-N 1 0 319.186 2.542 20 70 DFIDRO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C12CCCCC2 ZINC000161178153 286372926 /nfs/dbraw/zinc/37/29/26/286372926.db2.gz VRLYRMHDJKNGQZ-FXUDXRNXSA-N 1 0 308.466 2.748 20 70 DFIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000161413383 267548348 /nfs/dbraw/zinc/54/83/48/267548348.db2.gz ITNBOENFYZBUKN-WBVHZDCISA-N 1 0 324.490 2.995 20 70 DFIDRO C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249591 268139879 /nfs/dbraw/zinc/13/98/79/268139879.db2.gz SYXLBLCVAIJYRK-ZIAGYGMSSA-N 1 0 322.453 2.545 20 70 DFIDRO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000217914142 268139974 /nfs/dbraw/zinc/13/99/74/268139974.db2.gz JSVUZXRGYCLKGU-OAHLLOKOSA-N 1 0 305.422 2.879 20 70 DFIDRO C[C@@H]1CN(Cc2ccc(Br)c3cccnc23)CC[NH2+]1 ZINC000160382133 425980514 /nfs/dbraw/zinc/98/05/14/425980514.db2.gz KLWKHEVMZHZQRT-LLVKDONJSA-N 1 0 320.234 2.791 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC(C)(C)Cc3occc31)CC2 ZINC000160400174 425981276 /nfs/dbraw/zinc/98/12/76/425981276.db2.gz AIBSNICTRPFWGE-TZMCWYRMSA-N 1 0 300.406 2.798 20 70 DFIDRO [NH3+]C1(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)CCCCC1 ZINC000160398724 425981994 /nfs/dbraw/zinc/98/19/94/425981994.db2.gz RDPSKDSDLXYPEM-OAHLLOKOSA-N 1 0 304.409 2.878 20 70 DFIDRO O=C(NCC[NH+]1CCCCC1)c1cc(F)cc2cccnc21 ZINC000160486017 425983831 /nfs/dbraw/zinc/98/38/31/425983831.db2.gz OXLYPHORVPRXDQ-UHFFFAOYSA-N 1 0 301.365 2.590 20 70 DFIDRO CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160489972 425984122 /nfs/dbraw/zinc/98/41/22/425984122.db2.gz GPKBZGFOGVNGER-KDOFPFPSSA-N 1 0 321.417 2.756 20 70 DFIDRO COc1cccc(Cl)c1CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000160496026 425984527 /nfs/dbraw/zinc/98/45/27/425984527.db2.gz GOLSPBSNPWKRDB-CHWSQXEVSA-N 1 0 324.852 2.880 20 70 DFIDRO Cn1nccc1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000160525609 425985141 /nfs/dbraw/zinc/98/51/41/425985141.db2.gz LECLOSNJUPWSDS-UHFFFAOYSA-N 1 0 300.362 2.708 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)CCCOc2ccc(C(C)(C)C)cc2)C1 ZINC000160523393 425985476 /nfs/dbraw/zinc/98/54/76/425985476.db2.gz PXMXGUODNBJDOR-INIZCTEOSA-N 1 0 318.461 2.963 20 70 DFIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cnc2ccsc2c1 ZINC000160599381 425989161 /nfs/dbraw/zinc/98/91/61/425989161.db2.gz ZBHODVCSJMNKBQ-MRVPVSSYSA-N 1 0 317.336 2.625 20 70 DFIDRO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1(c2ccc(F)cc2)CCCC1 ZINC000160747508 425994775 /nfs/dbraw/zinc/99/47/75/425994775.db2.gz QGZZREOMGALXBP-CALCHBBNSA-N 1 0 316.420 2.990 20 70 DFIDRO CC(C)[C@@H](C)NC(=O)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160761114 425995719 /nfs/dbraw/zinc/99/57/19/425995719.db2.gz NXHBHGCKKWCBNU-QGZVFWFLSA-N 1 0 323.525 2.735 20 70 DFIDRO C[C@@]1(CNc2ncnc3nc[nH]c32)CCC[N@@H+]1Cc1ccccc1 ZINC000160799564 425996416 /nfs/dbraw/zinc/99/64/16/425996416.db2.gz RQESIKDCQQKBGQ-SFHVURJKSA-N 1 0 322.416 2.820 20 70 DFIDRO C[C@]1(CNc2ccnc(C(N)=O)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000160796134 425996645 /nfs/dbraw/zinc/99/66/45/425996645.db2.gz HDVOYYXCBRVOCU-LJQANCHMSA-N 1 0 324.428 2.647 20 70 DFIDRO CC[C@H](C(=O)N1CCC(Nc2ccccc2F)CC1)[NH+](C)C ZINC000160814546 425998061 /nfs/dbraw/zinc/99/80/61/425998061.db2.gz RZIHOHLTHKEYKX-MRXNPFEDSA-N 1 0 307.413 2.569 20 70 DFIDRO C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000160903616 426000549 /nfs/dbraw/zinc/00/05/49/426000549.db2.gz BAVMPFJMKHDKAX-IPELMVKDSA-N 1 0 308.425 2.961 20 70 DFIDRO COC(=O)c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)s1 ZINC000160923331 426001555 /nfs/dbraw/zinc/00/15/55/426001555.db2.gz SEKJTWFGVCLRAX-MLGOLLRUSA-N 1 0 309.431 2.662 20 70 DFIDRO CC[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccc(F)cc1F ZINC000160912712 426001581 /nfs/dbraw/zinc/00/15/81/426001581.db2.gz AWZISMKUPUFSRQ-WMLDXEAASA-N 1 0 310.388 2.869 20 70 DFIDRO CCSCC[C@H](C)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000160908838 426002049 /nfs/dbraw/zinc/00/20/49/426002049.db2.gz LSKXXJRRNBBEMT-HNNXBMFYSA-N 1 0 320.502 2.956 20 70 DFIDRO CC[N@@H+]1CCC[C@@H](CNc2ncnc3c2cnn3C(C)(C)C)C1 ZINC000160917066 426002172 /nfs/dbraw/zinc/00/21/72/426002172.db2.gz RNFFZSHRDFFSNE-ZDUSSCGKSA-N 1 0 316.453 2.725 20 70 DFIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)[C@@H]3CCOC3)CC2)cc1 ZINC000160977537 426003982 /nfs/dbraw/zinc/00/39/82/426003982.db2.gz QKHFDCIQPDPYAY-NVXWUHKLSA-N 1 0 316.445 2.614 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](OCC)c2ccccc2)CC1 ZINC000161001648 426004019 /nfs/dbraw/zinc/00/40/19/426004019.db2.gz ITWSFUYGOVKDIP-KRWDZBQOSA-N 1 0 304.434 2.612 20 70 DFIDRO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CCCOC(C)C)C2)n1 ZINC000159378307 425959289 /nfs/dbraw/zinc/95/92/89/425959289.db2.gz GUTQSWWDQIRZAC-INIZCTEOSA-N 1 0 319.449 2.856 20 70 DFIDRO CCC(=O)N1CCC[N@H+](CCCc2cccc(OC)c2)CC1 ZINC000159467123 425960856 /nfs/dbraw/zinc/96/08/56/425960856.db2.gz RRZWKQJESOHMIS-UHFFFAOYSA-N 1 0 304.434 2.572 20 70 DFIDRO C=CCOc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1Cl ZINC000159516274 425961734 /nfs/dbraw/zinc/96/17/34/425961734.db2.gz KALKNGISZSYSLI-JSGCOSHPSA-N 1 0 322.836 2.991 20 70 DFIDRO CCN(CC)[C@H](C[NH2+]Cc1cn(C)nc1C)c1ccccc1 ZINC000159562995 425963344 /nfs/dbraw/zinc/96/33/44/425963344.db2.gz DRJLXBQWUHGTQK-GOSISDBHSA-N 1 0 300.450 2.901 20 70 DFIDRO CCCOc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159633352 425964262 /nfs/dbraw/zinc/96/42/62/425964262.db2.gz SPDYYUBEVXSQNL-ZFWWWQNUSA-N 1 0 320.433 2.570 20 70 DFIDRO CCCN1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000159640538 425964570 /nfs/dbraw/zinc/96/45/70/425964570.db2.gz XNTCNJUROVOWNQ-UHFFFAOYSA-N 1 0 323.525 2.689 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)N2CCC([NH2+]C(C)C)CC2)n1 ZINC000159746669 425966398 /nfs/dbraw/zinc/96/63/98/425966398.db2.gz PMUXPIYDJLRCPZ-UHFFFAOYSA-N 1 0 321.469 2.924 20 70 DFIDRO CC(C)[C@@H](C)NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000159723804 425967137 /nfs/dbraw/zinc/96/71/37/425967137.db2.gz DWKYHZQFJZKYNL-OAHLLOKOSA-N 1 0 318.465 2.984 20 70 DFIDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000159814993 425967300 /nfs/dbraw/zinc/96/73/00/425967300.db2.gz YCZZNFLWZWRVDW-IINYFYTJSA-N 1 0 311.223 2.721 20 70 DFIDRO CCCC[N@H+](C)CCNC(=O)N(C)[C@H](CC)c1ccncc1 ZINC000159813347 425968058 /nfs/dbraw/zinc/96/80/58/425968058.db2.gz BFACYYJCORNCCD-MRXNPFEDSA-N 1 0 306.454 2.906 20 70 DFIDRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000159856421 425968779 /nfs/dbraw/zinc/96/87/79/425968779.db2.gz XPACWNYHCKNEQH-LBPRGKRZSA-N 1 0 317.364 2.711 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)Cc1ccccc1 ZINC000159867072 425969203 /nfs/dbraw/zinc/96/92/03/425969203.db2.gz YSGMSCQIIGSTCL-INIZCTEOSA-N 1 0 304.459 3.000 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)C[C@H](O)Cc1ccccc1 ZINC000159866918 425969677 /nfs/dbraw/zinc/96/96/77/425969677.db2.gz YSGMSCQIIGSTCL-MRXNPFEDSA-N 1 0 304.459 3.000 20 70 DFIDRO Cc1cc(OCC(=O)NCC2CC[NH+](C)CC2)cc(C)c1Cl ZINC000159902148 425969920 /nfs/dbraw/zinc/96/99/20/425969920.db2.gz UNSZRPJTABAVBD-UHFFFAOYSA-N 1 0 324.852 2.794 20 70 DFIDRO CC(C)OCc1c2ccccc2oc1C(=O)NCC(C)(C)[NH3+] ZINC000159928342 425970585 /nfs/dbraw/zinc/97/05/85/425970585.db2.gz DUXBAGVLSGRRCB-UHFFFAOYSA-N 1 0 304.390 2.825 20 70 DFIDRO CC[C@@H](C)Oc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159974835 425971239 /nfs/dbraw/zinc/97/12/39/425971239.db2.gz XPSOLBKFRPGUND-BMFZPTHFSA-N 1 0 302.418 2.830 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(C)c(F)c2)CC1 ZINC000159968962 425971433 /nfs/dbraw/zinc/97/14/33/425971433.db2.gz ZMKOBIMBYRMOQF-CQSZACIVSA-N 1 0 307.413 2.932 20 70 DFIDRO C=CCN(CC=C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000159950782 425971658 /nfs/dbraw/zinc/97/16/58/425971658.db2.gz WCQYLRSPSGCHJH-WMZOPIPTSA-N 1 0 313.445 2.891 20 70 DFIDRO CC[C@H](C)c1ccccc1OCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160057977 425974206 /nfs/dbraw/zinc/97/42/06/425974206.db2.gz YTZFCQHJQPYPSP-HRCADAONSA-N 1 0 316.445 2.932 20 70 DFIDRO COc1cc(C[NH2+]CC2(CO)CCCC2)cc(Cl)c1OC ZINC000160094345 425974509 /nfs/dbraw/zinc/97/45/09/425974509.db2.gz JXJAZMGTVBLQSW-UHFFFAOYSA-N 1 0 313.825 3.000 20 70 DFIDRO OCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161028174 426005463 /nfs/dbraw/zinc/00/54/63/426005463.db2.gz VTPJSSBZRURGAQ-GJZGRUSLSA-N 1 0 317.351 2.976 20 70 DFIDRO CCC[C@H](C)CS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160132255 425975164 /nfs/dbraw/zinc/97/51/64/425975164.db2.gz OLEWXSVTXHEYPD-HOTGVXAUSA-N 1 0 316.511 2.703 20 70 DFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000160215497 425976059 /nfs/dbraw/zinc/97/60/59/425976059.db2.gz UTRAODIJUMOPFZ-HIFRSBDPSA-N 1 0 312.373 2.922 20 70 DFIDRO CC(C)c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nn1C(C)(C)C ZINC000160284440 425977934 /nfs/dbraw/zinc/97/79/34/425977934.db2.gz QZDRSDNJFHOVGH-OKILXGFUSA-N 1 0 318.465 2.728 20 70 DFIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1c(F)cc(F)cc1F ZINC000160361088 425980294 /nfs/dbraw/zinc/98/02/94/425980294.db2.gz WEXVVNIUVHMLFN-JTQLQIEISA-N 1 0 300.324 2.708 20 70 DFIDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000161416076 426022564 /nfs/dbraw/zinc/02/25/64/426022564.db2.gz FCCAICBOHMLVQF-SJORKVTESA-N 1 0 302.418 2.509 20 70 DFIDRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1F ZINC000161409434 426022737 /nfs/dbraw/zinc/02/27/37/426022737.db2.gz DVBBIAWMAHTOLI-CYBMUJFWSA-N 1 0 318.371 2.882 20 70 DFIDRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@H](CO)c2ccccc2)CC1 ZINC000161432361 426023991 /nfs/dbraw/zinc/02/39/91/426023991.db2.gz ILVOLXDKXCPILB-QGZVFWFLSA-N 1 0 318.461 2.594 20 70 DFIDRO C[C@H]1C[C@H](NC(=O)NC2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000161431939 426024000 /nfs/dbraw/zinc/02/40/00/426024000.db2.gz WVSGTYWPQBNKBI-YOEHRIQHSA-N 1 0 301.434 2.891 20 70 DFIDRO CC[C@@H]1CN(CCC[NH+]2CCCCC2)CCN1CC(F)F ZINC000161463586 426024902 /nfs/dbraw/zinc/02/49/02/426024902.db2.gz JDVGTYROEXIBQK-OAHLLOKOSA-N 1 0 303.441 2.524 20 70 DFIDRO CC(C)[C@H]([NH2+]CCn1ccnc1)c1ccc2c(c1)OCCO2 ZINC000161481431 426025299 /nfs/dbraw/zinc/02/52/99/426025299.db2.gz TVWJQNSBHIEZCO-KRWDZBQOSA-N 1 0 301.390 2.641 20 70 DFIDRO COc1cccc(CCC[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161468478 426025534 /nfs/dbraw/zinc/02/55/34/426025534.db2.gz GHCGIYUKRQJLMI-UHFFFAOYSA-N 1 0 305.418 2.903 20 70 DFIDRO CCc1cc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)[nH]n1 ZINC000161476946 426025908 /nfs/dbraw/zinc/02/59/08/426025908.db2.gz FNAVUWKURVLGBC-UHFFFAOYSA-N 1 0 318.465 2.745 20 70 DFIDRO C[C@H](Cc1cccc(F)c1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161505749 426026568 /nfs/dbraw/zinc/02/65/68/426026568.db2.gz JWOIJINIAZGFDU-AJSFGMTHSA-N 1 0 304.409 2.746 20 70 DFIDRO COCC[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000161040656 426006811 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O=C(c1cccc(F)n1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000161186636 426011991 /nfs/dbraw/zinc/01/19/91/426011991.db2.gz ASSCPKSTUYMDDP-UHFFFAOYSA-N 1 0 313.376 2.569 20 70 DFIDRO C#CC[NH+]1CCC(C(=O)N2CCC(C)(c3ccccc3)CC2)CC1 ZINC000161192250 426012320 /nfs/dbraw/zinc/01/23/20/426012320.db2.gz IESQXXUTZPGTBF-UHFFFAOYSA-N 1 0 324.468 2.912 20 70 DFIDRO C=CCN(C)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000161186395 426012513 /nfs/dbraw/zinc/01/25/13/426012513.db2.gz DAZUWRDNPPIQLK-INIZCTEOSA-N 1 0 317.433 2.660 20 70 DFIDRO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161184949 426012932 /nfs/dbraw/zinc/01/29/32/426012932.db2.gz FGNAJRRTQGNMNH-SZVBFZGTSA-N 1 0 322.493 2.698 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000161246770 426014672 /nfs/dbraw/zinc/01/46/72/426014672.db2.gz TVKZCARCMXBDHF-QGZVFWFLSA-N 1 0 318.461 2.817 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000161254772 426015191 /nfs/dbraw/zinc/01/51/91/426015191.db2.gz VYNLVZFEVKTGJP-MFKMUULPSA-N 1 0 311.223 2.567 20 70 DFIDRO CC1(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000161261612 426015796 /nfs/dbraw/zinc/01/57/96/426015796.db2.gz CHONHPMQTFPWHD-MRXNPFEDSA-N 1 0 301.434 2.893 20 70 DFIDRO O[C@@H](C1CC[NH+](CCOc2ccccc2)CC1)C(F)(F)F ZINC000161289471 426017766 /nfs/dbraw/zinc/01/77/66/426017766.db2.gz QESXJVMGIMNRPD-AWEZNQCLSA-N 1 0 303.324 2.701 20 70 DFIDRO c1ccc(CCOCCC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161321751 426018937 /nfs/dbraw/zinc/01/89/37/426018937.db2.gz QDWNDOBBZYKZFX-UHFFFAOYSA-N 1 0 319.445 2.911 20 70 DFIDRO CCc1nc(C2(NCCC[NH+]3CCCCC3)CCCC2)no1 ZINC000161306994 426019070 /nfs/dbraw/zinc/01/90/70/426019070.db2.gz GUMWNTZAZSKHGJ-UHFFFAOYSA-N 1 0 306.454 2.867 20 70 DFIDRO CCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000161332422 426020221 /nfs/dbraw/zinc/02/02/21/426020221.db2.gz JAEPDRJXNTZMHO-WCQYABFASA-N 1 0 321.339 2.676 20 70 DFIDRO COCCN(CC[NH2+]Cc1cccs1)C(=O)OC(C)(C)C ZINC000218145223 426565926 /nfs/dbraw/zinc/56/59/26/426565926.db2.gz BJPZXJLEEHSNRU-UHFFFAOYSA-N 1 0 314.451 2.721 20 70 DFIDRO Cc1ccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000217911233 426564663 /nfs/dbraw/zinc/56/46/63/426564663.db2.gz IARSSNJHXXTGOQ-UHFFFAOYSA-N 1 0 305.422 2.879 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](Cc1ccc(C)cc1)C1CC1)CC2 ZINC000160584809 274854190 /nfs/dbraw/zinc/85/41/90/274854190.db2.gz MXSPWGDHCKSLLK-ZWKOTPCHSA-N 1 0 310.445 2.821 20 70 DFIDRO C[NH+](C)[C@@H]1CCN(c2ncc(Cl)cc2Br)C1 ZINC000159800596 276837917 /nfs/dbraw/zinc/83/79/17/276837917.db2.gz CFJFGBRQLQHYIR-SECBINFHSA-N 1 0 304.619 2.638 20 70 DFIDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000159451544 277281867 /nfs/dbraw/zinc/28/18/67/277281867.db2.gz JBLDMXWNOOBQAF-NILFDRSVSA-N 1 0 310.825 2.674 20 70 DFIDRO C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@H]1CCOC1 ZINC000159969671 277618269 /nfs/dbraw/zinc/61/82/69/277618269.db2.gz UQUAGKUYJROMTR-OCCSQVGLSA-N 1 0 308.388 2.665 20 70 DFIDRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160170312 279588537 /nfs/dbraw/zinc/58/85/37/279588537.db2.gz UFAKEZVHNDCUQR-VHSXEESVSA-N 1 0 317.216 2.710 20 70 DFIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000161132759 290049592 /nfs/dbraw/zinc/04/95/92/290049592.db2.gz TYJXHXDTJQRWFL-BPUTZDHNSA-N 1 0 324.490 2.614 20 70 DFIDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](CCO)CSC)CCCO2 ZINC000160174834 295275518 /nfs/dbraw/zinc/27/55/18/295275518.db2.gz FNOXJDRXVLRQJR-SWLSCSKDSA-N 1 0 311.447 2.613 20 70 DFIDRO O=C(Cc1c[nH]c2cc(F)ccc12)NC1CC[NH+](C2CC2)CC1 ZINC000159380444 295376025 /nfs/dbraw/zinc/37/60/25/295376025.db2.gz TVQNJPYJMFLPRN-UHFFFAOYSA-N 1 0 315.392 2.593 20 70 DFIDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]1OCC[C@@H]1C ZINC000159393171 295376173 /nfs/dbraw/zinc/37/61/73/295376173.db2.gz FQKUZFVZPJCZIF-FUHWJXTLSA-N 1 0 318.461 2.782 20 70 DFIDRO CC(C)(C)Cc1cc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)n[nH]1 ZINC000159439169 295377095 /nfs/dbraw/zinc/37/70/95/295377095.db2.gz FAPLESJXHUEXIZ-INIZCTEOSA-N 1 0 312.417 2.824 20 70 DFIDRO CCC[C@H](C(=O)NC[C@H](Nc1ccccc1)C(C)C)[NH+](C)C ZINC000159562390 295378201 /nfs/dbraw/zinc/37/82/01/295378201.db2.gz MKNWJVMCCYYGDI-DLBZAZTESA-N 1 0 305.466 2.970 20 70 DFIDRO CC[NH+](CC)CCNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000159646561 295379612 /nfs/dbraw/zinc/37/96/12/295379612.db2.gz JKKMVYCNVXCZRH-INIZCTEOSA-N 1 0 307.413 2.844 20 70 DFIDRO CCCCn1ncc(NC(=O)NCC[N@H+](C)[C@H](C)CC)c1C ZINC000159689537 295380146 /nfs/dbraw/zinc/38/01/46/295380146.db2.gz WUVQPFDRJFKAKG-CYBMUJFWSA-N 1 0 309.458 2.843 20 70 DFIDRO CCCC[N@H+](C)CCNC(=O)N1CCc2cccc(F)c2C1 ZINC000159793166 295381664 /nfs/dbraw/zinc/38/16/64/295381664.db2.gz UELWAUZQFIFQLU-UHFFFAOYSA-N 1 0 307.413 2.625 20 70 DFIDRO CC(C)OC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159801244 295381683 /nfs/dbraw/zinc/38/16/83/295381683.db2.gz WHERSCNZOACCNR-IRXDYDNUSA-N 1 0 305.418 2.845 20 70 DFIDRO CC(C)[N@H+](CCC(=O)N1CCC[C@H]1C)CCc1nccs1 ZINC000159801226 295381765 /nfs/dbraw/zinc/38/17/65/295381765.db2.gz BZAZDZOGLKUHEV-CQSZACIVSA-N 1 0 309.479 2.797 20 70 DFIDRO CCCC(=O)Nc1cccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000159873166 295383102 /nfs/dbraw/zinc/38/31/02/295383102.db2.gz WMFITVLNSJTKQW-GDBMZVCRSA-N 1 0 303.450 2.998 20 70 DFIDRO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159971874 295384616 /nfs/dbraw/zinc/38/46/16/295384616.db2.gz UHBBQAVMWWZWSF-KBPBESRZSA-N 1 0 318.465 2.921 20 70 DFIDRO CC(C)[NH2+]CCC(=O)N1CCc2ccc(Br)cc21 ZINC000159992770 295385032 /nfs/dbraw/zinc/38/50/32/295385032.db2.gz CZWDTFIXSMTHJE-UHFFFAOYSA-N 1 0 311.223 2.726 20 70 DFIDRO CC(C)[C@@H](CNC(=O)[C@H]1CCC(=O)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000160005753 295385157 /nfs/dbraw/zinc/38/51/57/295385157.db2.gz ORIMPQBXSWHWLD-RYQLBKOJSA-N 1 0 322.493 2.864 20 70 DFIDRO C[NH+]1CCC(Oc2ccc(NCc3cccc(O)c3)cn2)CC1 ZINC000160068335 295386251 /nfs/dbraw/zinc/38/62/51/295386251.db2.gz ARFWOEHFGWZRLK-UHFFFAOYSA-N 1 0 313.401 2.872 20 70 DFIDRO CCSCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1F ZINC000160108441 295386583 /nfs/dbraw/zinc/38/65/83/295386583.db2.gz QJZJSNRXNIZADM-CHWSQXEVSA-N 1 0 301.427 2.687 20 70 DFIDRO C[NH+](C)CCCC1CCN(C(=O)NC(C2CC2)C2CC2)CC1 ZINC000160101270 295386657 /nfs/dbraw/zinc/38/66/57/295386657.db2.gz QWZARBJRKOZBDT-UHFFFAOYSA-N 1 0 307.482 2.938 20 70 DFIDRO CCC[NH+]1CCC(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000160164152 295387300 /nfs/dbraw/zinc/38/73/00/295387300.db2.gz HDFVQLMQHZAWJS-AWEZNQCLSA-N 1 0 324.490 2.615 20 70 DFIDRO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cccc(Cl)c2F)N1 ZINC000160145519 295387314 /nfs/dbraw/zinc/38/73/14/295387314.db2.gz PXBPJSBGQKUTIL-ZDUSSCGKSA-N 1 0 315.739 2.925 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCOc1ccccc1 ZINC000160396251 295390827 /nfs/dbraw/zinc/39/08/27/295390827.db2.gz IVIINWTYBGNDSB-MRXNPFEDSA-N 1 0 304.434 2.692 20 70 DFIDRO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c(C)c1 ZINC000160422184 295391183 /nfs/dbraw/zinc/39/11/83/295391183.db2.gz XUQKHIGRDUJJNI-OAHLLOKOSA-N 1 0 304.434 2.854 20 70 DFIDRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160446438 295391191 /nfs/dbraw/zinc/39/11/91/295391191.db2.gz YKQCAOAAZUWBFT-IOASZLSFSA-N 1 0 308.397 2.684 20 70 DFIDRO CC[C@@H]1CN(C(=O)C2CCC(C)(C)CC2)CC[N@@H+]1CCOC ZINC000160502402 295392032 /nfs/dbraw/zinc/39/20/32/295392032.db2.gz CWYHNVGTOOACHR-MRXNPFEDSA-N 1 0 310.482 2.772 20 70 DFIDRO CC[C@H](C)OCC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000160491422 295392155 /nfs/dbraw/zinc/39/21/55/295392155.db2.gz SWSRZHPXUWWUFW-INIZCTEOSA-N 1 0 310.482 2.916 20 70 DFIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc2c(s1)CCC2 ZINC000160576122 295392890 /nfs/dbraw/zinc/39/28/90/295392890.db2.gz GHWIRLZJIYXKMU-QMMMGPOBSA-N 1 0 306.353 2.566 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCOCc1ccccc1 ZINC000160603657 295393579 /nfs/dbraw/zinc/39/35/79/295393579.db2.gz SJORSMMCMBYUEW-GOSISDBHSA-N 1 0 318.461 2.830 20 70 DFIDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1c(C)nn(C)c1C ZINC000160798834 295395539 /nfs/dbraw/zinc/39/55/39/295395539.db2.gz XYCMKGAOKWFHNZ-OAHLLOKOSA-N 1 0 300.406 2.716 20 70 DFIDRO CC[C@@](C)(O)C[NH+]1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000160916620 295396272 /nfs/dbraw/zinc/39/62/72/295396272.db2.gz IVKFJBGAMACXQK-QGZVFWFLSA-N 1 0 314.470 2.726 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000161245290 295400568 /nfs/dbraw/zinc/40/05/68/295400568.db2.gz JWJYYWRSSYHSFV-UHFFFAOYSA-N 1 0 311.223 2.568 20 70 DFIDRO O[C@H](C1CC[NH+](CCOc2ccccc2)CC1)C(F)(F)F ZINC000161289593 295401557 /nfs/dbraw/zinc/40/15/57/295401557.db2.gz QESXJVMGIMNRPD-CQSZACIVSA-N 1 0 303.324 2.701 20 70 DFIDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)ncn1)c1ccccc1 ZINC000161407923 295402608 /nfs/dbraw/zinc/40/26/08/295402608.db2.gz ZTRJWMMHFPMFHE-KRWDZBQOSA-N 1 0 312.417 2.598 20 70 DFIDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC1=O)CCCO2 ZINC000159527019 301903301 /nfs/dbraw/zinc/90/33/01/301903301.db2.gz UKIUECKAOWDOCI-INIZCTEOSA-N 1 0 302.418 2.811 20 70 DFIDRO CC[NH+]=C(NCC(C)(C)c1cccs1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000159916403 332866659 /nfs/dbraw/zinc/86/66/59/332866659.db2.gz HHFOZIWEQTZUGQ-MCIONIFRSA-N 1 0 321.490 2.901 20 70 DFIDRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160592611 500620544 /nfs/dbraw/zinc/62/05/44/500620544.db2.gz ZPDTVOZLQDKVPU-NSHDSACASA-N 1 0 318.339 2.803 20 70 DFIDRO CCC[N@@H+]1CCCN(C(=O)[C@H](C)Cc2ccccc2F)CC1 ZINC000159929869 519850310 /nfs/dbraw/zinc/85/03/10/519850310.db2.gz PXYPHJQYIZGCAQ-OAHLLOKOSA-N 1 0 306.425 2.949 20 70 DFIDRO CC[C@H](C)OCC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161489924 521749314 /nfs/dbraw/zinc/74/93/14/521749314.db2.gz STUIFGRZBJSWEG-GTPINHCMSA-N 1 0 310.482 2.961 20 70 DFIDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(N2CCOCC2)cc1 ZINC000160440024 525479677 /nfs/dbraw/zinc/47/96/77/525479677.db2.gz LUVIBKMNBQXONP-AYBZRNKSSA-N 1 0 318.461 2.725 20 70 DFIDRO Cc1csc(N2CCC([NH2+]C[C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000160491853 526376641 /nfs/dbraw/zinc/37/66/41/526376641.db2.gz DFWMEENMNLKZHQ-HIFRSBDPSA-N 1 0 309.479 2.561 20 70 DFIDRO Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159581486 526846742 /nfs/dbraw/zinc/84/67/42/526846742.db2.gz PWTAAXZMMHRXLQ-GASCZTMLSA-N 1 0 311.385 2.617 20 70 DFIDRO NC(=O)CC1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000159776713 526862684 /nfs/dbraw/zinc/86/26/84/526862684.db2.gz PWFZLTVZJBTDIF-UHFFFAOYSA-N 1 0 321.471 2.959 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1c3cc(F)ccc3C[C@@H]1C)CC2 ZINC000160582371 282118381 /nfs/dbraw/zinc/11/83/81/282118381.db2.gz TVXVYXCTIFXLDH-NCHVAJSOSA-N 1 0 300.381 2.564 20 70 DFIDRO CCC(CC)CS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160108451 282168656 /nfs/dbraw/zinc/16/86/56/282168656.db2.gz PJCGYBCPVBWMKV-MRXNPFEDSA-N 1 0 316.511 2.703 20 70 DFIDRO CN(C)c1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000159646486 282290629 /nfs/dbraw/zinc/29/06/29/282290629.db2.gz CODFUMHDRARXQB-JQFCIGGWSA-N 1 0 304.409 2.939 20 70 DFIDRO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@H]1CCC[C@@H]1O ZINC000159570808 186127707 /nfs/dbraw/zinc/12/77/07/186127707.db2.gz SUWZTWSFYWYKBM-DOMZBBRYSA-N 1 0 310.825 2.761 20 70 DFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000159617370 186130644 /nfs/dbraw/zinc/13/06/44/186130644.db2.gz XSNHEKXUENCRAG-UHFFFAOYSA-N 1 0 305.378 2.637 20 70 DFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)C2(CCOC)CC2)c1 ZINC000159611907 186130966 /nfs/dbraw/zinc/13/09/66/186130966.db2.gz SQYDKMOXUMSMIK-UHFFFAOYSA-N 1 0 304.434 2.571 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cc1 ZINC000159647957 186132943 /nfs/dbraw/zinc/13/29/43/186132943.db2.gz VYEWZGOLJYFBSU-STQMWFEESA-N 1 0 321.446 2.626 20 70 DFIDRO COCCC1(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCC1 ZINC000159693103 186135795 /nfs/dbraw/zinc/13/57/95/186135795.db2.gz JSVTZYPETKSWLI-UHFFFAOYSA-N 1 0 318.461 2.832 20 70 DFIDRO COCCC[N@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159688165 186135990 /nfs/dbraw/zinc/13/59/90/186135990.db2.gz DQLUIJDLCITOPE-OAHLLOKOSA-N 1 0 310.825 2.804 20 70 DFIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000159752820 186139831 /nfs/dbraw/zinc/13/98/31/186139831.db2.gz BWRBTNHKRQLRKJ-BZSNNMDCSA-N 1 0 315.461 2.554 20 70 DFIDRO CCC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)[NH+](C)C ZINC000161280880 283475787 /nfs/dbraw/zinc/47/57/87/283475787.db2.gz QUMONAUAHHBFGQ-DOMZBBRYSA-N 1 0 308.422 2.611 20 70 DFIDRO Cc1ccc([C@H](C)CNC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000159448132 398965156 /nfs/dbraw/zinc/96/51/56/398965156.db2.gz BFSLANRIQJPRIL-HZPDHXFCSA-N 1 0 303.450 2.740 20 70 DFIDRO CC(C)[NH2+]CCC(=O)NCCOc1ccccc1C(C)(C)C ZINC000159511988 398965313 /nfs/dbraw/zinc/96/53/13/398965313.db2.gz XRMGDTHESHKDIG-UHFFFAOYSA-N 1 0 306.450 2.867 20 70 DFIDRO [NH3+]C[C@H]1c2ccccc2CCN1c1nnc(C(F)(F)F)s1 ZINC000160401788 398970476 /nfs/dbraw/zinc/97/04/76/398970476.db2.gz MPMJDEORCKGZGJ-JTQLQIEISA-N 1 0 314.336 2.619 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)CC[NH2+]C(C)C ZINC000161058393 398974628 /nfs/dbraw/zinc/97/46/28/398974628.db2.gz IJACMWPGRSTFLT-WBMJQRKESA-N 1 0 312.841 2.920 20 70 DFIDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)CC[NH2+]C(C)C ZINC000161058531 398974754 /nfs/dbraw/zinc/97/47/54/398974754.db2.gz IJACMWPGRSTFLT-BLLLJJGKSA-N 1 0 312.841 2.920 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000161245542 398975747 /nfs/dbraw/zinc/97/57/47/398975747.db2.gz QIMSKTLEUURSHW-NSHDSACASA-N 1 0 311.223 2.568 20 70 DFIDRO C[C@@]1(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CCC[NH2+]C1 ZINC000161335299 197486574 /nfs/dbraw/zinc/48/65/74/197486574.db2.gz VTGGKMIENYTOAR-QGZVFWFLSA-N 1 0 319.836 2.870 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000161247756 197478040 /nfs/dbraw/zinc/47/80/40/197478040.db2.gz GEKRJNOPTLMHTE-OSAQELSMSA-N 1 0 310.438 2.611 20 70 DFIDRO C[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccccc1F ZINC000161161827 197470380 /nfs/dbraw/zinc/47/03/80/197470380.db2.gz YKCDDOGAPBGNAH-FFHGMXDLSA-N 1 0 320.408 2.630 20 70 DFIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cnc(C)nc2C)c1 ZINC000160175116 197391061 /nfs/dbraw/zinc/39/10/61/197391061.db2.gz QPVXNNCFNBYRJL-LBPRGKRZSA-N 1 0 312.417 2.694 20 70 DFIDRO Cc1cccc([C@H](NC(=O)C[N@@H+](C)C(C)C)c2ccccn2)c1 ZINC000160075191 197383571 /nfs/dbraw/zinc/38/35/71/197383571.db2.gz YNQNAAFBZXTKKM-IBGZPJMESA-N 1 0 311.429 2.936 20 70 DFIDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000160121640 197387450 /nfs/dbraw/zinc/38/74/50/197387450.db2.gz FHUMASZBLOPRHV-MRXNPFEDSA-N 1 0 322.474 2.717 20 70 DFIDRO CCCCn1ncc(NC(=O)N2CC[NH+](C(C)C)CC2)c1C ZINC000160124238 197386876 /nfs/dbraw/zinc/38/68/76/197386876.db2.gz OZIKYKFXMJBUPX-UHFFFAOYSA-N 1 0 307.442 2.550 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000160105982 197385905 /nfs/dbraw/zinc/38/59/05/197385905.db2.gz TVYIGLHCPNVOFC-NVXWUHKLSA-N 1 0 306.475 2.647 20 70 DFIDRO CC(C)COc1ccc(C(C)(C)C(=O)NCC(C)(C)[NH3+])cc1 ZINC000160002869 197379518 /nfs/dbraw/zinc/37/95/18/197379518.db2.gz RIDPWSKJSKFEIB-UHFFFAOYSA-N 1 0 306.450 2.853 20 70 DFIDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000159985894 197377517 /nfs/dbraw/zinc/37/75/17/197377517.db2.gz ZGXKZQSYNNGWIW-DLBZAZTESA-N 1 0 304.434 2.755 20 70 DFIDRO CC[C@@H](NC(=O)N1CCC[N@H+](CC)CC1)c1nc(C)cs1 ZINC000159826465 197367392 /nfs/dbraw/zinc/36/73/92/197367392.db2.gz TWCPCUPZFBOAGX-CYBMUJFWSA-N 1 0 310.467 2.640 20 70 DFIDRO C[C@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccccn1 ZINC000159829904 197366991 /nfs/dbraw/zinc/36/69/91/197366991.db2.gz LSQGOSMFCLMASE-HNNXBMFYSA-N 1 0 318.465 2.906 20 70 DFIDRO CCOc1cccc([C@H](C)NC(=O)N2CCC[N@H+](CC)CC2)c1 ZINC000159777498 197363653 /nfs/dbraw/zinc/36/36/53/197363653.db2.gz CSSHTXKHVYAOOD-HNNXBMFYSA-N 1 0 319.449 2.884 20 70 DFIDRO COc1cc(F)ccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000159538739 197361167 /nfs/dbraw/zinc/36/11/67/197361167.db2.gz YFYJNVXWPALRDP-DOMZBBRYSA-N 1 0 321.396 2.782 20 70 DFIDRO COc1cc(F)ccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000159538620 197360600 /nfs/dbraw/zinc/36/06/00/197360600.db2.gz YFYJNVXWPALRDP-WFASDCNBSA-N 1 0 321.396 2.782 20 70 DFIDRO C[N@@H+](CC(=O)Nc1ccc2ccccc2c1)C[C@H]1CCC[C@@H]1O ZINC000159451631 197354227 /nfs/dbraw/zinc/35/42/27/197354227.db2.gz ZBMQFGDXTFUOAV-AEFFLSMTSA-N 1 0 312.413 2.871 20 70 DFIDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000159397801 197350599 /nfs/dbraw/zinc/35/05/99/197350599.db2.gz LLDWZDHACAGASA-CYBMUJFWSA-N 1 0 312.479 2.646 20 70 DFIDRO CCN1CCO[C@@H](C[NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000159544834 542718540 /nfs/dbraw/zinc/71/85/40/542718540.db2.gz VBONOPXQSKPHSL-ZDUSSCGKSA-N 1 0 303.233 2.804 20 70 DFIDRO CC1(C)CC([NH2+]C2CCN(S(C)(=O)=O)CC2)CC(C)(C)C1 ZINC000159726625 542719500 /nfs/dbraw/zinc/71/95/00/542719500.db2.gz MGSQTEXVUQCKSV-UHFFFAOYSA-N 1 0 316.511 2.605 20 70 DFIDRO OCC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000159729789 542719580 /nfs/dbraw/zinc/71/95/80/542719580.db2.gz KNONSJRQJXOQCY-HKUYNNGSSA-N 1 0 319.445 2.981 20 70 DFIDRO CCn1nccc1C[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000159938052 542719861 /nfs/dbraw/zinc/71/98/61/542719861.db2.gz NPHLZKOEIRFOFA-UHFFFAOYSA-N 1 0 311.332 2.803 20 70 DFIDRO CC(C)Oc1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cn1 ZINC000160068985 542720769 /nfs/dbraw/zinc/72/07/69/542720769.db2.gz JJLSARHNBKXJQW-UHFFFAOYSA-N 1 0 313.392 2.688 20 70 DFIDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(C)nc2)[C@H](C)C1 ZINC000161282475 542727905 /nfs/dbraw/zinc/72/79/05/542727905.db2.gz JPAMXQAQVQTEMY-CRAIPNDOSA-N 1 0 305.466 2.617 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCCOc2ccc(F)cc2F)C1 ZINC000161299454 542728525 /nfs/dbraw/zinc/72/85/25/542728525.db2.gz WBAVHZHNIKQWEO-STQMWFEESA-N 1 0 312.360 2.510 20 70 DFIDRO Cc1cccc(OCCCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161486068 542729516 /nfs/dbraw/zinc/72/95/16/542729516.db2.gz YDYNHHWIXQWQSW-CVEARBPZSA-N 1 0 304.434 2.930 20 70 DFIDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3)CC[C@H]2N1 ZINC000160743763 542724332 /nfs/dbraw/zinc/72/43/32/542724332.db2.gz MRZWMFXURJWNHZ-TZMCWYRMSA-N 1 0 323.234 2.550 20 70 DFIDRO O=C1CC[C@@H]2C[N@H+](Cc3cccc(Br)c3)CC[C@@H]2N1 ZINC000160739081 542724680 /nfs/dbraw/zinc/72/46/80/542724680.db2.gz DEVWULGCYXNTGN-OCCSQVGLSA-N 1 0 323.234 2.550 20 70 DFIDRO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3Br)CC[C@@H]2N1 ZINC000160739645 542724787 /nfs/dbraw/zinc/72/47/87/542724787.db2.gz UHLULWYTVYDZFG-OCCSQVGLSA-N 1 0 323.234 2.550 20 70 DFIDRO CCO[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C12CCC2 ZINC000160998450 542726323 /nfs/dbraw/zinc/72/63/23/542726323.db2.gz SRVPTLBEDAOTSV-RRFJBIMHSA-N 1 0 322.836 2.804 20 70 DFIDRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161065107 542726700 /nfs/dbraw/zinc/72/67/00/542726700.db2.gz XETFAQFQSMXNEC-OWCLPIDISA-N 1 0 316.445 2.891 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 ZINC000161103222 542726828 /nfs/dbraw/zinc/72/68/28/542726828.db2.gz WYQYMAJMAQKFNY-STQMWFEESA-N 1 0 319.792 2.995 20 70 DFIDRO C[C@@H](CNC(=O)c1ccc(C[NH3+])o1)Oc1ccc(Cl)cc1 ZINC000161136047 542726847 /nfs/dbraw/zinc/72/68/47/542726847.db2.gz XUXKONFZCWJWKL-JTQLQIEISA-N 1 0 308.765 2.589 20 70 DFIDRO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000217223279 542876513 /nfs/dbraw/zinc/87/65/13/542876513.db2.gz DOJYRIHQHVLUSY-BZUAXINKSA-N 1 0 310.482 2.770 20 70 DFIDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2C#N)C1)c1cnccn1 ZINC000159477062 145219615 /nfs/dbraw/zinc/21/96/15/145219615.db2.gz LDWOTXXSRHIUTI-GDBMZVCRSA-N 1 0 307.401 2.668 20 70 DFIDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2C#N)C1)c1cnccn1 ZINC000159477185 145219956 /nfs/dbraw/zinc/21/99/56/145219956.db2.gz LDWOTXXSRHIUTI-HOCLYGCPSA-N 1 0 307.401 2.668 20 70 DFIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc2c(c1)CCO2 ZINC000160391611 425982041 /nfs/dbraw/zinc/98/20/41/425982041.db2.gz JXSPSPXJVLBJGO-JKSUJKDBSA-N 1 0 312.417 2.577 20 70 DFIDRO Cc1cccc(C(=O)N2CCC(OCCC[NH3+])CC2)c1Cl ZINC000160401202 425982221 /nfs/dbraw/zinc/98/22/21/425982221.db2.gz JENFFTFNHGKCBJ-UHFFFAOYSA-N 1 0 310.825 2.618 20 70 DFIDRO C[C@H](CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(C)(C)C ZINC000160463070 425982612 /nfs/dbraw/zinc/98/26/12/425982612.db2.gz NZAUGSBMDQMEQJ-PVAVHDDUSA-N 1 0 324.509 2.943 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)Oc1ccc(SC)cc1 ZINC000160443482 425983369 /nfs/dbraw/zinc/98/33/69/425983369.db2.gz ZGXXXPRCSFYSQK-GFCCVEGCSA-N 1 0 310.463 2.810 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCOc3ccc(C)cc31)CC2 ZINC000160446018 425983460 /nfs/dbraw/zinc/98/34/60/425983460.db2.gz XXMJMICHEXPTHT-GOEBONIOSA-N 1 0 312.417 2.713 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)CCc1ccc(OC(F)F)cc1 ZINC000160510992 425985020 /nfs/dbraw/zinc/98/50/20/425985020.db2.gz GAJQAQBHLWPLGT-UHFFFAOYSA-N 1 0 314.376 2.854 20 70 DFIDRO CC1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000160551058 425986151 /nfs/dbraw/zinc/98/61/51/425986151.db2.gz YXNDRQZHAUQKBK-CABCVRRESA-N 1 0 322.399 2.916 20 70 DFIDRO CC1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000160551724 425986251 /nfs/dbraw/zinc/98/62/51/425986251.db2.gz BONFGTCFQUTGGR-GDBMZVCRSA-N 1 0 322.399 2.916 20 70 DFIDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160542031 425986873 /nfs/dbraw/zinc/98/68/73/425986873.db2.gz LEPGUQHJADUNEC-HNAYVOBHSA-N 1 0 318.461 2.805 20 70 DFIDRO COC[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)C1CC1 ZINC000160558591 425987758 /nfs/dbraw/zinc/98/77/58/425987758.db2.gz KFUOUYJESPHPOS-QGZVFWFLSA-N 1 0 303.450 2.977 20 70 DFIDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC(=O)NCC(F)(F)F ZINC000160575852 425987987 /nfs/dbraw/zinc/98/79/87/425987987.db2.gz KBFAVXDVOLRZPE-CYBMUJFWSA-N 1 0 320.330 2.661 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)CCCCCc2ccc(OC)cc2)C1 ZINC000160577968 425988570 /nfs/dbraw/zinc/98/85/70/425988570.db2.gz HONUVBZDGIDSCQ-MRXNPFEDSA-N 1 0 304.434 2.618 20 70 DFIDRO OCCCCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161028534 426005824 /nfs/dbraw/zinc/00/58/24/426005824.db2.gz VTPJSSBZRURGAQ-HUUCEWRRSA-N 1 0 317.351 2.976 20 70 DFIDRO CCCOc1ccc(CCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160624322 425990150 /nfs/dbraw/zinc/99/01/50/425990150.db2.gz BDRNKJMTKKEXLW-CALCHBBNSA-N 1 0 316.445 2.761 20 70 DFIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](CC)[C@@H]2CCOC2)c1 ZINC000160625061 425990256 /nfs/dbraw/zinc/99/02/56/425990256.db2.gz RWPYHTGUGSESIZ-SJORKVTESA-N 1 0 304.434 2.731 20 70 DFIDRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1F)N1CCOCC1 ZINC000160657830 425991350 /nfs/dbraw/zinc/99/13/50/425991350.db2.gz OMGGVBAFULWYJD-UHFFFAOYSA-N 1 0 300.805 2.680 20 70 DFIDRO C[NH2+]C[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000160692390 425991968 /nfs/dbraw/zinc/99/19/68/425991968.db2.gz AOWCVJZEIILRJP-GZMMTYOYSA-N 1 0 308.731 2.915 20 70 DFIDRO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160676754 425992272 /nfs/dbraw/zinc/99/22/72/425992272.db2.gz NZRHNMWTDDQOGT-FSNPWBFUSA-N 1 0 322.493 2.791 20 70 DFIDRO C[N@H+](CCCCO)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160742132 425994149 /nfs/dbraw/zinc/99/41/49/425994149.db2.gz KJBWTAIUVMZVGJ-YIONKMFJSA-N 1 0 312.454 2.621 20 70 DFIDRO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160864113 425999211 /nfs/dbraw/zinc/99/92/11/425999211.db2.gz OTJKRHLJUBHHSK-HUUCEWRRSA-N 1 0 314.433 2.778 20 70 DFIDRO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000160908295 426001911 /nfs/dbraw/zinc/00/19/11/426001911.db2.gz HBWWXVHAFSRAII-PBHICJAKSA-N 1 0 320.433 2.535 20 70 DFIDRO CCC[C@H]([NH3+])C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 ZINC000160939824 426002667 /nfs/dbraw/zinc/00/26/67/426002667.db2.gz YQGBPGSDCVFGFN-HNNXBMFYSA-N 1 0 306.406 2.619 20 70 DFIDRO C[C@H]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160941637 426002699 /nfs/dbraw/zinc/00/26/99/426002699.db2.gz JHOAIIDWIDYQEJ-HOTGVXAUSA-N 1 0 315.461 2.989 20 70 DFIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)[C@H]3CCOC3)CC2)cc1 ZINC000160977768 426004685 /nfs/dbraw/zinc/00/46/85/426004685.db2.gz QKHFDCIQPDPYAY-WBVHZDCISA-N 1 0 316.445 2.614 20 70 DFIDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccn1 ZINC000159381329 425958914 /nfs/dbraw/zinc/95/89/14/425958914.db2.gz QAMKHPJSIBQMIF-ZBFHGGJFSA-N 1 0 301.434 2.913 20 70 DFIDRO CC(C)[C@H](Cc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159421076 425960303 /nfs/dbraw/zinc/96/03/03/425960303.db2.gz XHMHUZMWBOMZAW-KSZLIROESA-N 1 0 300.446 2.854 20 70 DFIDRO COc1ccccc1C[C@H](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159437725 425960548 /nfs/dbraw/zinc/96/05/48/425960548.db2.gz FIMKAZUKJOKYDJ-BHYGNILZSA-N 1 0 316.445 2.617 20 70 DFIDRO CC(C)(C)n1nc(C(=O)NCC2([NH3+])CCCCC2)cc1C1CC1 ZINC000159472339 425960938 /nfs/dbraw/zinc/96/09/38/425960938.db2.gz LJCAMGLOHRESLS-UHFFFAOYSA-N 1 0 318.465 2.907 20 70 DFIDRO CCOCC[N@@H+]1CCN(c2cc(Cl)nc(C3CC3)n2)C[C@@H]1C ZINC000159406426 425961094 /nfs/dbraw/zinc/96/10/94/425961094.db2.gz CNYRHAVLFDOLIG-LBPRGKRZSA-N 1 0 324.856 2.554 20 70 DFIDRO COc1ccc2cc(C[N@@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)ccc2c1 ZINC000159534581 425962130 /nfs/dbraw/zinc/96/21/30/425962130.db2.gz JVCKJJCVJXXPTL-GUYCJALGSA-N 1 0 312.413 2.934 20 70 DFIDRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000159642611 425964065 /nfs/dbraw/zinc/96/40/65/425964065.db2.gz OFNLRACEUZNUOL-OIISXLGYSA-N 1 0 305.491 2.777 20 70 DFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159625819 425964156 /nfs/dbraw/zinc/96/41/56/425964156.db2.gz ILRALFUPKLXNBY-ONGXEEELSA-N 1 0 318.314 2.930 20 70 DFIDRO O=C(Nc1ccc2c(c1)C(=O)CCC2)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000159602888 425964592 /nfs/dbraw/zinc/96/45/92/425964592.db2.gz MJJBVNICWYYYSO-SFHVURJKSA-N 1 0 320.392 2.859 20 70 DFIDRO CC(C)c1noc2ncc(C(=O)NCC3([NH3+])CCCCC3)cc21 ZINC000159699337 425964964 /nfs/dbraw/zinc/96/49/64/425964964.db2.gz HNTCJETYYRGCBF-UHFFFAOYSA-N 1 0 316.405 2.738 20 70 DFIDRO CC[C@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159813855 425967550 /nfs/dbraw/zinc/96/75/50/425967550.db2.gz HFWVQRDPAMFPTE-QGZVFWFLSA-N 1 0 303.450 2.745 20 70 DFIDRO C[C@H](CCNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)[NH+]1CCCCC1 ZINC000159917165 425970264 /nfs/dbraw/zinc/97/02/64/425970264.db2.gz AFGWFKFTALNKCK-PVAVHDDUSA-N 1 0 323.481 2.508 20 70 DFIDRO Cc1cc(C#N)ccc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000159934900 425970349 /nfs/dbraw/zinc/97/03/49/425970349.db2.gz AHSIMGYTTJHUJM-GOSISDBHSA-N 1 0 321.424 2.769 20 70 DFIDRO C[C@@H](C[NH2+][C@@H](C)C1CCOCC1)N1CCc2sccc2C1 ZINC000159884313 425970616 /nfs/dbraw/zinc/97/06/16/425970616.db2.gz DGOCCKNJQKFUQB-KBPBESRZSA-N 1 0 308.491 2.899 20 70 DFIDRO Fc1ccc(C#CC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000160041969 425972432 /nfs/dbraw/zinc/97/24/32/425972432.db2.gz IFPPGDDNRNXQAA-INIZCTEOSA-N 1 0 324.403 2.595 20 70 DFIDRO O=C(c1cccc(C(F)(F)F)c1F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160033022 425972930 /nfs/dbraw/zinc/97/29/30/425972930.db2.gz DVUQSAQWFVBXDA-AOOOYVTPSA-N 1 0 316.298 2.811 20 70 DFIDRO COC[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)C1CC1 ZINC000160046413 425972997 /nfs/dbraw/zinc/97/29/97/425972997.db2.gz ZCAYQZRRMQZASF-AWEZNQCLSA-N 1 0 308.388 2.665 20 70 DFIDRO CCOc1ccc(SCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160093213 425973882 /nfs/dbraw/zinc/97/38/82/425973882.db2.gz YZEWKHBFDFVLKB-OKILXGFUSA-N 1 0 320.458 2.530 20 70 DFIDRO O=C(Cc1c(Cl)cccc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160146104 425975293 /nfs/dbraw/zinc/97/52/93/425975293.db2.gz MQKSOWMHQDLZLW-PHIMTYICSA-N 1 0 313.228 2.889 20 70 DFIDRO CC[C@H](COC)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160188560 425976276 /nfs/dbraw/zinc/97/62/76/425976276.db2.gz ACSMLQMWIGDLRC-CABCVRRESA-N 1 0 305.397 2.681 20 70 DFIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)NC2CCCC2)n1 ZINC000160184894 425976655 /nfs/dbraw/zinc/97/66/55/425976655.db2.gz OBOYGHSCYIWZBE-QGZVFWFLSA-N 1 0 301.434 2.976 20 70 DFIDRO CCOCCC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000160226990 425977485 /nfs/dbraw/zinc/97/74/85/425977485.db2.gz KURZDDNGDQRYMG-UHFFFAOYSA-N 1 0 308.397 2.903 20 70 DFIDRO CC[C@@H]([NH2+][C@@H](CCO)CSC)c1ccc2c(c1)OCCO2 ZINC000160226838 425977590 /nfs/dbraw/zinc/97/75/90/425977590.db2.gz AAEQLMMGGLINOC-UONOGXRCSA-N 1 0 311.447 2.613 20 70 DFIDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000161416187 426023219 /nfs/dbraw/zinc/02/32/19/426023219.db2.gz FCCAICBOHMLVQF-IRXDYDNUSA-N 1 0 302.418 2.509 20 70 DFIDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000161416411 426023407 /nfs/dbraw/zinc/02/34/07/426023407.db2.gz FCCAICBOHMLVQF-DLBZAZTESA-N 1 0 302.418 2.509 20 70 DFIDRO C[C@@H]1CC[C@@H](C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)O1 ZINC000161452250 426024328 /nfs/dbraw/zinc/02/43/28/426024328.db2.gz JXPMBWMQGWIOQO-VXLLPVPCSA-N 1 0 308.466 2.713 20 70 DFIDRO CCOc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1F ZINC000161430996 426024580 /nfs/dbraw/zinc/02/45/80/426024580.db2.gz XTSARUDEACGEPZ-UHFFFAOYSA-N 1 0 309.381 3.000 20 70 DFIDRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCCO1)Cc1ccccc1 ZINC000161466310 426024910 /nfs/dbraw/zinc/02/49/10/426024910.db2.gz HMZDBKVGZPFAAU-ZWKOTPCHSA-N 1 0 318.461 2.625 20 70 DFIDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCCO1)Cc1ccccc1 ZINC000161466071 426025039 /nfs/dbraw/zinc/02/50/39/426025039.db2.gz HMZDBKVGZPFAAU-ROUUACIJSA-N 1 0 318.461 2.625 20 70 DFIDRO C[C@@H]1CN(Cc2ccc(Br)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000161500483 426026505 /nfs/dbraw/zinc/02/65/05/426026505.db2.gz MVBCLJHBHQJSQM-ZJUUUORDSA-N 1 0 301.203 2.770 20 70 DFIDRO CCC[C@H](C(=O)Nc1cccc(NC(=O)C(C)C)c1)[NH+](C)C ZINC000161500625 426026820 /nfs/dbraw/zinc/02/68/20/426026820.db2.gz JZGALZOJUMTJEC-OAHLLOKOSA-N 1 0 305.422 2.950 20 70 DFIDRO CC(C)(C)Cc1cc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)n[nH]1 ZINC000161048885 426006743 /nfs/dbraw/zinc/00/67/43/426006743.db2.gz VOSCZMGSGGSJQR-AWEZNQCLSA-N 1 0 300.406 2.507 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000161058842 426006776 /nfs/dbraw/zinc/00/67/76/426006776.db2.gz SYBPOTVFDUATCD-LNSITVRQSA-N 1 0 310.825 2.532 20 70 DFIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC000161087067 426007364 /nfs/dbraw/zinc/00/73/64/426007364.db2.gz XTKLLKWTMPFORS-KGLIPLIRSA-N 1 0 314.433 2.799 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC000161087125 426007921 /nfs/dbraw/zinc/00/79/21/426007921.db2.gz UQCZLXUHTLRYRQ-AWEZNQCLSA-N 1 0 306.425 2.852 20 70 DFIDRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000161102722 426008954 /nfs/dbraw/zinc/00/89/54/426008954.db2.gz RTNVQUFZRRBAON-KZNAEPCWSA-N 1 0 316.445 2.579 20 70 DFIDRO COc1ccc(Br)cc1C[NH2+]C(C)(C)[C@@H](C)O ZINC000161132138 426009751 /nfs/dbraw/zinc/00/97/51/426009751.db2.gz HBTOAIAKTUNVCM-SECBINFHSA-N 1 0 302.212 2.707 20 70 DFIDRO CCN1CCCC[C@@H]1C[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000161169766 426011240 /nfs/dbraw/zinc/01/12/40/426011240.db2.gz BXCJSAXXHHJJFX-MRXNPFEDSA-N 1 0 322.522 2.884 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000161169573 426011352 /nfs/dbraw/zinc/01/13/52/426011352.db2.gz IINVKTFQQMLKDN-UHFFFAOYSA-N 1 0 318.461 2.959 20 70 DFIDRO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1OC ZINC000161203921 426012245 /nfs/dbraw/zinc/01/22/45/426012245.db2.gz KQVGBXMOLRNHJE-OFQRWUPVSA-N 1 0 323.433 2.796 20 70 DFIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)C2CCC2)CC1 ZINC000161185268 426012428 /nfs/dbraw/zinc/01/24/28/426012428.db2.gz RIZOTXKAUOVJGC-AWEZNQCLSA-N 1 0 316.449 2.801 20 70 DFIDRO CCCOCc1ccccc1CNC(=O)C(CC)(CC)C[NH3+] ZINC000161185152 426012676 /nfs/dbraw/zinc/01/26/76/426012676.db2.gz JBOYMSRTVPSHQN-UHFFFAOYSA-N 1 0 306.450 2.995 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC000161190610 426012768 /nfs/dbraw/zinc/01/27/68/426012768.db2.gz NYXCQWMZBKYWBT-HOCLYGCPSA-N 1 0 304.434 2.788 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N(C)CC(C)C)cc1 ZINC000161200918 426012904 /nfs/dbraw/zinc/01/29/04/426012904.db2.gz BFUZJZBLKTYZQQ-KRWDZBQOSA-N 1 0 303.450 2.603 20 70 DFIDRO CC1CCC(N(C[C@@H]2CCCO2)C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000161222635 426013393 /nfs/dbraw/zinc/01/33/93/426013393.db2.gz MJBHFIFLDIIPEQ-QDZBGDLPSA-N 1 0 308.466 2.700 20 70 DFIDRO Cc1nnc(CN(C)CCCc2cc(-c3ccccc3)n[nH]2)n1C ZINC000161231694 426014112 /nfs/dbraw/zinc/01/41/12/426014112.db2.gz ZSOXGLDLTKVTFV-UHFFFAOYSA-N 1 0 324.432 2.578 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)NCc1csc(-c2ccco2)n1 ZINC000161252449 426014985 /nfs/dbraw/zinc/01/49/85/426014985.db2.gz LOYRZKQYSPLCDS-UHFFFAOYSA-N 1 0 307.419 2.784 20 70 DFIDRO CC(=O)NC1CCC([NH2+]CCc2ccc(Cl)s2)CC1 ZINC000161308303 426018087 /nfs/dbraw/zinc/01/80/87/426018087.db2.gz VEUNQTHYACBABU-UHFFFAOYSA-N 1 0 300.855 2.981 20 70 DFIDRO Cc1cnccc1CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000161321178 426018384 /nfs/dbraw/zinc/01/83/84/426018384.db2.gz QAPFAAIUXCVRMB-MRXNPFEDSA-N 1 0 320.481 2.598 20 70 DFIDRO CCC[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[NH+](C)C ZINC000161304085 426018799 /nfs/dbraw/zinc/01/87/99/426018799.db2.gz USSKNEKVXPADHA-LSDHHAIUSA-N 1 0 323.506 2.732 20 70 DFIDRO CCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000161332728 426020228 /nfs/dbraw/zinc/02/02/28/426020228.db2.gz JAEPDRJXNTZMHO-YPMHNXCESA-N 1 0 321.339 2.676 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000161341462 426020256 /nfs/dbraw/zinc/02/02/56/426020256.db2.gz TUQTXGSSWWWBNB-OAHLLOKOSA-N 1 0 321.469 2.735 20 70 DFIDRO Cc1c(NC(=O)NCC2CC[NH+](C)CC2)cnn1CCC(C)C ZINC000161350279 426021210 /nfs/dbraw/zinc/02/12/10/426021210.db2.gz HLSYSJGNCOQTJM-UHFFFAOYSA-N 1 0 321.469 2.701 20 70 DFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c(C)onc1-c1ccncc1 ZINC000161390545 426021798 /nfs/dbraw/zinc/02/17/98/426021798.db2.gz DEOVZHCPKBPNBE-GFCCVEGCSA-N 1 0 316.405 2.505 20 70 DFIDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217852158 426566663 /nfs/dbraw/zinc/56/66/63/426566663.db2.gz HKNCIAVATUCYMB-PRHODGIISA-N 1 0 322.243 2.790 20 70 DFIDRO C[C@@H]([NH2+]Cc1cnc[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218176823 426566709 /nfs/dbraw/zinc/56/67/09/426566709.db2.gz JUVNBVUCISQGSU-CHWSQXEVSA-N 1 0 308.426 2.535 20 70 DFIDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCCO1 ZINC000218145555 426564676 /nfs/dbraw/zinc/56/46/76/426564676.db2.gz GVLWFKMTUCRPJK-LBPRGKRZSA-N 1 0 300.196 2.813 20 70 DFIDRO C[C@H]([NH2+]Cc1cnc[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218176884 426565036 /nfs/dbraw/zinc/56/50/36/426565036.db2.gz JUVNBVUCISQGSU-QWHCGFSZSA-N 1 0 308.426 2.535 20 70 DFIDRO CCSCC[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000160204493 271079649 /nfs/dbraw/zinc/07/96/49/271079649.db2.gz FLQQPRMDURNCCC-UHFFFAOYSA-N 1 0 308.447 2.946 20 70 DFIDRO Cc1cccc([C@@H](NC(=O)C2CC[NH+](C)CC2)c2ccccn2)c1 ZINC000160213291 271080097 /nfs/dbraw/zinc/08/00/97/271080097.db2.gz UZUFEOHBIZDQTA-LJQANCHMSA-N 1 0 323.440 2.937 20 70 DFIDRO O=C([C@H]1CCC[NH2+]C1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000161011152 275008242 /nfs/dbraw/zinc/00/82/42/275008242.db2.gz KEZKBHASSLXLFS-DZGCQCFKSA-N 1 0 324.877 2.956 20 70 DFIDRO CCN(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000161362171 276309345 /nfs/dbraw/zinc/30/93/45/276309345.db2.gz FYUWYNRXFZFPHP-CGTJXYLNSA-N 1 0 317.477 2.524 20 70 DFIDRO CC(C)[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)[NH+](C)C ZINC000159904941 277725898 /nfs/dbraw/zinc/72/58/98/277725898.db2.gz PSBJPSODEYEIMV-ZBFHGGJFSA-N 1 0 304.434 2.991 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000161378444 278088725 /nfs/dbraw/zinc/08/87/25/278088725.db2.gz QGLPIMHSSAMKJQ-CTWPCTMYSA-N 1 0 317.477 2.635 20 70 DFIDRO CCOC(C)(C)C[NH2+]C[C@H](O)COCc1ccccc1Cl ZINC000159382684 295375944 /nfs/dbraw/zinc/37/59/44/295375944.db2.gz YEKFBPZVMHRIGX-AWEZNQCLSA-N 1 0 315.841 2.622 20 70 DFIDRO CCN(CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000159459112 295377000 /nfs/dbraw/zinc/37/70/00/295377000.db2.gz KCJPFXZQVVQVGK-RRFJBIMHSA-N 1 0 313.486 2.562 20 70 DFIDRO C[C@H](CC(=O)NC[C@H](C1CC1)[NH+](C)C)c1ccc(F)cc1F ZINC000159576243 295378649 /nfs/dbraw/zinc/37/86/49/295378649.db2.gz RSZHVJYAMJNSPL-BDJLRTHQSA-N 1 0 310.388 2.915 20 70 DFIDRO COc1ccc(OC)c(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159686602 295380196 /nfs/dbraw/zinc/38/01/96/295380196.db2.gz KKGUZEXHYOTJLG-BBRMVZONSA-N 1 0 318.417 2.907 20 70 DFIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000160030740 295385564 /nfs/dbraw/zinc/38/55/64/295385564.db2.gz QUFQJEGMDCQMJK-SMDDNHRTSA-N 1 0 324.469 2.670 20 70 DFIDRO CCOCC[N@H+](CC)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000160085465 295386004 /nfs/dbraw/zinc/38/60/04/295386004.db2.gz XUCKNZWBBURVPH-OAHLLOKOSA-N 1 0 319.367 2.967 20 70 DFIDRO CC(C)[NH2+]CCC(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000160124856 295386982 /nfs/dbraw/zinc/38/69/82/295386982.db2.gz MUHUSXRZSMBLSZ-GOSISDBHSA-N 1 0 318.461 2.975 20 70 DFIDRO CCCCn1ncc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1C ZINC000160145813 295387378 /nfs/dbraw/zinc/38/73/78/295387378.db2.gz VYEKRUMLNVYPNU-HNNXBMFYSA-N 1 0 319.453 2.694 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC000160528122 295392490 /nfs/dbraw/zinc/39/24/90/295392490.db2.gz WJDYCDCHIXGYFP-GFCCVEGCSA-N 1 0 314.351 2.954 20 70 DFIDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160615900 295393832 /nfs/dbraw/zinc/39/38/32/295393832.db2.gz NLZVVLLLJRWSTE-INMHGKMJSA-N 1 0 304.434 2.569 20 70 DFIDRO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000160793181 295395701 /nfs/dbraw/zinc/39/57/01/295395701.db2.gz CSPWTQSCVXCDCL-OCCSQVGLSA-N 1 0 308.388 2.664 20 70 DFIDRO Cc1nn(C)cc1C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000161037265 295397586 /nfs/dbraw/zinc/39/75/86/295397586.db2.gz IAOXSEUHMUDGTG-LBPRGKRZSA-N 1 0 314.389 2.536 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000161300829 295401397 /nfs/dbraw/zinc/40/13/97/295401397.db2.gz IKNQCHGEXUYDEG-HNNXBMFYSA-N 1 0 319.453 2.631 20 70 DFIDRO C[C@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)[NH+]1CCCCCC1 ZINC000159889378 298191007 /nfs/dbraw/zinc/19/10/07/298191007.db2.gz ZRDFYBYHNYJTIW-CVEARBPZSA-N 1 0 308.466 2.859 20 70 DFIDRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCN1CCCC1=O ZINC000159491852 301893719 /nfs/dbraw/zinc/89/37/19/301893719.db2.gz FEBUSIHSVBSKBY-MRXNPFEDSA-N 1 0 302.418 2.811 20 70 DFIDRO COCCCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160662243 332887077 /nfs/dbraw/zinc/88/70/77/332887077.db2.gz QFUVJLZPPUPDAD-UHFFFAOYSA-N 1 0 305.300 2.738 20 70 DFIDRO C#CCOc1ccc(C(=O)N[C@H](C)CCC[NH+](CC)CC)cc1 ZINC000161287996 334887034 /nfs/dbraw/zinc/88/70/34/334887034.db2.gz KFZFIATZHTYRFM-MRXNPFEDSA-N 1 0 316.445 2.939 20 70 DFIDRO CC(=O)NC1CCC([NH2+]CCc2csc(C(C)C)n2)CC1 ZINC000161402640 519645153 /nfs/dbraw/zinc/64/51/53/519645153.db2.gz UCPGJDMEHJAWKX-UHFFFAOYSA-N 1 0 309.479 2.846 20 70 DFIDRO CC(C)n1nccc1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000160350138 520092776 /nfs/dbraw/zinc/09/27/76/520092776.db2.gz VZQSZPFEQWVPAM-YOEHRIQHSA-N 1 0 306.454 2.704 20 70 DFIDRO CCN(CC)c1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1F ZINC000159762381 520892156 /nfs/dbraw/zinc/89/21/56/520892156.db2.gz SAMMUHVQCOPUJM-UHFFFAOYSA-N 1 0 321.440 2.759 20 70 DFIDRO CC[C@H](COC)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160188306 522262371 /nfs/dbraw/zinc/26/23/71/522262371.db2.gz ACSMLQMWIGDLRC-HUUCEWRRSA-N 1 0 305.397 2.681 20 70 DFIDRO C[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)C[C@H]1CCC[C@@H]1O ZINC000159687537 523573738 /nfs/dbraw/zinc/57/37/38/523573738.db2.gz GZHMHHHBZXEPNO-CVEARBPZSA-N 1 0 311.385 2.806 20 70 DFIDRO C[C@H](C[NH2+][C@H](C)C1CCOCC1)N1CCc2ccccc2C1 ZINC000159840735 524500141 /nfs/dbraw/zinc/50/01/41/524500141.db2.gz AIEHWXZAQFCGDR-HZPDHXFCSA-N 1 0 302.462 2.838 20 70 DFIDRO C[C@@H]([NH3+])CCNC(=O)c1cccc(Br)c1Cl ZINC000160410109 524998129 /nfs/dbraw/zinc/99/81/29/524998129.db2.gz FMESGQDNZYVKMO-SSDOTTSWSA-N 1 0 305.603 2.570 20 70 DFIDRO C[C@]1(C(=O)NCCSc2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000161312027 525206808 /nfs/dbraw/zinc/20/68/08/525206808.db2.gz VCIZIYVBYPTRQL-HNNXBMFYSA-N 1 0 312.866 2.938 20 70 DFIDRO COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H]3CCC[C@@H]3[NH3+])C2)cc1 ZINC000159972762 525263350 /nfs/dbraw/zinc/26/33/50/525263350.db2.gz YSZHITJVBYIICT-JFOHDYCDSA-N 1 0 302.418 2.527 20 70 DFIDRO Cc1c([C@@H](C)[NH2+]CCCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000159522228 525893423 /nfs/dbraw/zinc/89/34/23/525893423.db2.gz PLWGNQBMGYXOHX-CYBMUJFWSA-N 1 0 305.378 2.566 20 70 DFIDRO O=C(NCC[NH2+]C1CCCCCC1)[C@H]1C[C@@H]1c1cccnc1 ZINC000159678744 526336167 /nfs/dbraw/zinc/33/61/67/526336167.db2.gz TVTUXOYHPLJAIZ-SJORKVTESA-N 1 0 301.434 2.614 20 70 DFIDRO CN(Cc1ccc(F)c(Br)c1)[C@@H](C[NH3+])C1CC1 ZINC000159725545 536470108 /nfs/dbraw/zinc/47/01/08/536470108.db2.gz ZTWDZKBYPVOUID-ZDUSSCGKSA-N 1 0 301.203 2.757 20 70 DFIDRO O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)C1CC[NH2+]CC1 ZINC000161188938 527004917 /nfs/dbraw/zinc/00/49/17/527004917.db2.gz VBFVANHBOLEOBL-GFCCVEGCSA-N 1 0 304.287 2.545 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CSCCc3ccccc31)CC2 ZINC000160519500 282119075 /nfs/dbraw/zinc/11/90/75/282119075.db2.gz HUIISCNEXTVNCF-HOCLYGCPSA-N 1 0 314.458 2.522 20 70 DFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000159575372 186128570 /nfs/dbraw/zinc/12/85/70/186128570.db2.gz BKFVRHJRQVNXFI-ILXRZTDVSA-N 1 0 314.429 2.718 20 70 DFIDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000159628420 186131655 /nfs/dbraw/zinc/13/16/55/186131655.db2.gz ZCMVKFOULIZUBX-TZMCWYRMSA-N 1 0 308.447 2.898 20 70 DFIDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000159646553 186132801 /nfs/dbraw/zinc/13/28/01/186132801.db2.gz LCVSTRWNZQWMAA-CHWSQXEVSA-N 1 0 308.447 2.898 20 70 DFIDRO CCC(CC)(C[NH2+]C[C@H](O)c1ccc(F)cc1F)C(=O)OC ZINC000159681010 186135172 /nfs/dbraw/zinc/13/51/72/186135172.db2.gz DZFNGYMGSNTYKC-AWEZNQCLSA-N 1 0 315.360 2.567 20 70 DFIDRO CC[C@@H](NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1ccc(F)cc1F ZINC000159727005 186137737 /nfs/dbraw/zinc/13/77/37/186137737.db2.gz UHFXBIMMHDKNDJ-MMNZLYFXSA-N 1 0 308.372 2.906 20 70 DFIDRO CN(C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000159593794 398964821 /nfs/dbraw/zinc/96/48/21/398964821.db2.gz QSRUGRKPAZLAMK-BBRMVZONSA-N 1 0 317.389 2.822 20 70 DFIDRO CC[N@H+](CCNC(=O)Cc1csc(-c2ccoc2)n1)C(C)C ZINC000160176537 398968431 /nfs/dbraw/zinc/96/84/31/398968431.db2.gz XOYXJPLFIIWDNT-UHFFFAOYSA-N 1 0 321.446 2.792 20 70 DFIDRO Cc1c(C)c(C)c(S(=O)(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c(C)c1C ZINC000160176087 398969192 /nfs/dbraw/zinc/96/91/92/398969192.db2.gz JTSDNMKWPFOICB-QFYYESIMSA-N 1 0 324.490 2.729 20 70 DFIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000160870605 398972999 /nfs/dbraw/zinc/97/29/99/398972999.db2.gz NSZCEUGFVUHZAS-FQEVSTJZSA-N 1 0 316.854 2.545 20 70 DFIDRO Cc1ccc([C@@H]2CSCCN2C(=O)CC[NH2+]C(C)C)cc1 ZINC000160770629 398973303 /nfs/dbraw/zinc/97/33/03/398973303.db2.gz FVMUEEYPVCYONX-INIZCTEOSA-N 1 0 306.475 3.000 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)CC[NH2+]C(C)C ZINC000161058253 398974423 /nfs/dbraw/zinc/97/44/23/398974423.db2.gz IJACMWPGRSTFLT-LRDDRELGSA-N 1 0 312.841 2.920 20 70 DFIDRO C[NH+](C)CCCC1CCN(C(=O)NCc2cccc(O)c2)CC1 ZINC000160724263 197434971 /nfs/dbraw/zinc/43/49/71/197434971.db2.gz QJXGTTNELUUHQJ-UHFFFAOYSA-N 1 0 319.449 2.656 20 70 DFIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cnc2ccsc2c1 ZINC000160599257 197425209 /nfs/dbraw/zinc/42/52/09/197425209.db2.gz ZBHODVCSJMNKBQ-QMMMGPOBSA-N 1 0 317.336 2.625 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](Oc2ccccc2)c2ccccc2)C1 ZINC000160611980 197426980 /nfs/dbraw/zinc/42/69/80/197426980.db2.gz HHKWPFNLHRQFPX-AEFFLSMTSA-N 1 0 310.397 2.627 20 70 DFIDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC1 ZINC000160434417 197409985 /nfs/dbraw/zinc/40/99/85/197409985.db2.gz KMAFQXXQTGVASC-KRWDZBQOSA-N 1 0 322.474 2.749 20 70 DFIDRO C=C[C@@H](CC(=O)NC1CC[NH+](CCOC)CC1)c1ccccc1 ZINC000160299096 197398485 /nfs/dbraw/zinc/39/84/85/197398485.db2.gz CFZMENGIMAIDJN-INIZCTEOSA-N 1 0 316.445 2.573 20 70 DFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000160227600 197394155 /nfs/dbraw/zinc/39/41/55/197394155.db2.gz PIDYOVSXXRPNDB-BBRMVZONSA-N 1 0 312.373 2.922 20 70 DFIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cnn(CC)c2)c1 ZINC000160184846 197391679 /nfs/dbraw/zinc/39/16/79/197391679.db2.gz KMBPFCJESDHNCG-ZDUSSCGKSA-N 1 0 300.406 2.504 20 70 DFIDRO CN(Cc1cc(F)ccc1Br)[C@@H](C[NH3+])C1CC1 ZINC000160038888 197381785 /nfs/dbraw/zinc/38/17/85/197381785.db2.gz VNQZSRJYXUSJGP-ZDUSSCGKSA-N 1 0 301.203 2.757 20 70 DFIDRO CCn1cc([C@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)cn1 ZINC000160128743 197388128 /nfs/dbraw/zinc/38/81/28/197388128.db2.gz JXJZIKDBXMLENZ-AWEZNQCLSA-N 1 0 304.413 2.825 20 70 DFIDRO O=C(Nc1ccc(F)cc1OCC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000159974769 197378053 /nfs/dbraw/zinc/37/80/53/197378053.db2.gz ASNXVUGPZPCSBZ-SECBINFHSA-N 1 0 320.286 2.705 20 70 DFIDRO Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCOC(C)(C)C3)c(C)n2n1 ZINC000159945829 197376286 /nfs/dbraw/zinc/37/62/86/197376286.db2.gz KPMQXWLCLIOKDA-GXTWGEPZSA-N 1 0 302.422 2.954 20 70 DFIDRO CC(C)([NH3+])CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000159941944 197374697 /nfs/dbraw/zinc/37/46/97/197374697.db2.gz MPVTYVLEFXZVQD-MNOVXSKESA-N 1 0 301.217 2.950 20 70 DFIDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1OCC[C@@H]1C ZINC000159893034 197371960 /nfs/dbraw/zinc/37/19/60/197371960.db2.gz FZMAEFZLDVEWHB-WMLDXEAASA-N 1 0 304.434 2.522 20 70 DFIDRO C[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@@H]1CCC[C@@H]1O ZINC000159849780 197369418 /nfs/dbraw/zinc/36/94/18/197369418.db2.gz KICOFHCXKPHFOW-FZMZJTMJSA-N 1 0 321.808 2.983 20 70 DFIDRO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000159843391 197367810 /nfs/dbraw/zinc/36/78/10/197367810.db2.gz QAEWTQVLOLAKLZ-OAHLLOKOSA-N 1 0 301.365 2.617 20 70 DFIDRO C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCn2ccnc2)CC1 ZINC000159810244 197366622 /nfs/dbraw/zinc/36/66/22/197366622.db2.gz NDZYXHCYTDYROY-CQSZACIVSA-N 1 0 320.387 2.540 20 70 DFIDRO Clc1ccc(C2=NO[C@H](CN3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000159778821 197363246 /nfs/dbraw/zinc/36/32/46/197363246.db2.gz WDIFYVZFLJMBSO-INIZCTEOSA-N 1 0 319.836 2.613 20 70 DFIDRO c1cc(N2CCCC2)ncc1C[NH2+][C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159504851 197358594 /nfs/dbraw/zinc/35/85/94/197358594.db2.gz JPOJIAWTBPEHTH-NJAFHUGGSA-N 1 0 313.445 2.729 20 70 DFIDRO CCC[C@@H](C(=O)NCc1ccccc1OC(F)F)[NH+](C)C ZINC000159504559 197358641 /nfs/dbraw/zinc/35/86/41/197358641.db2.gz IISQAUCFMCHFOI-LBPRGKRZSA-N 1 0 300.349 2.635 20 70 DFIDRO CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)c1cccnc1 ZINC000159508503 197358380 /nfs/dbraw/zinc/35/83/80/197358380.db2.gz UQIQXNYAQSCUTG-QGZVFWFLSA-N 1 0 320.481 2.803 20 70 DFIDRO Cc1ccc(NC(=O)C2CC[NH2+]CC2)cc1NC(=O)C(C)(C)C ZINC000159527711 197360714 /nfs/dbraw/zinc/36/07/14/197360714.db2.gz OFBQJODIWTXCRX-UHFFFAOYSA-N 1 0 317.433 2.918 20 70 DFIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccccc1OC(F)F ZINC000159510358 197360326 /nfs/dbraw/zinc/36/03/26/197360326.db2.gz JWCLSMODKDRYRT-GFCCVEGCSA-N 1 0 312.360 2.951 20 70 DFIDRO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159539689 197360376 /nfs/dbraw/zinc/36/03/76/197360376.db2.gz HKUGBZULVIRNOW-CABCVRRESA-N 1 0 304.434 2.789 20 70 DFIDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@H](C)[NH3+] ZINC000159456060 197355050 /nfs/dbraw/zinc/35/50/50/197355050.db2.gz ADIWSSFZJNTTQF-QWRGUYRKSA-N 1 0 303.431 2.951 20 70 DFIDRO COc1ccc(S[C@H](C)C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159461851 197355213 /nfs/dbraw/zinc/35/52/13/197355213.db2.gz HGUJIOKYJMRBMD-CYBMUJFWSA-N 1 0 322.474 2.954 20 70 DFIDRO Cc1cnc([C@@H](C)NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC000159406101 197351265 /nfs/dbraw/zinc/35/12/65/197351265.db2.gz NZKNDBIJOXATIP-ZIAGYGMSSA-N 1 0 324.494 2.932 20 70 DFIDRO CN(CC(C)(C)O)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159423643 197352350 /nfs/dbraw/zinc/35/23/50/197352350.db2.gz OYSNFPHAUJXHDW-UHFFFAOYSA-N 1 0 318.461 2.518 20 70 DFIDRO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(OCC3CCOCC3)cc2)C1 ZINC000159413005 197351141 /nfs/dbraw/zinc/35/11/41/197351141.db2.gz MBVABOIMCRKTOD-GJZGRUSLSA-N 1 0 318.417 2.558 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H]([NH3+])CC(C)C ZINC000159451105 542717512 /nfs/dbraw/zinc/71/75/12/542717512.db2.gz BXSGZCQVYWNJBU-DFBGVHRSSA-N 1 0 312.841 2.906 20 70 DFIDRO Cc1nccc(NC(=O)N2CCC[N@@H+](C(C)C)CC2)c1Cl ZINC000159472650 542717822 /nfs/dbraw/zinc/71/78/22/542717822.db2.gz FTQYYBSFNZYGGH-UHFFFAOYSA-N 1 0 310.829 2.991 20 70 DFIDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccnc(C)c2Cl)C1 ZINC000159896966 542719954 /nfs/dbraw/zinc/71/99/54/542719954.db2.gz POPJCLCLPLJIKK-GFCCVEGCSA-N 1 0 310.829 2.897 20 70 DFIDRO CC(C)OCC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000160185631 542721676 /nfs/dbraw/zinc/72/16/76/542721676.db2.gz KTPGSERPHMZFJD-LLVKDONJSA-N 1 0 322.232 2.748 20 70 DFIDRO CC(C)OCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000160202759 542722263 /nfs/dbraw/zinc/72/22/63/542722263.db2.gz BVBNAIKNXNEKLJ-GFCCVEGCSA-N 1 0 322.232 2.748 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N2CC[NH2+]CC2(C)C)c1 ZINC000161252958 542727940 /nfs/dbraw/zinc/72/79/40/542727940.db2.gz CYDGSDCOBWEMGM-UHFFFAOYSA-N 1 0 311.223 2.582 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000161249641 542728005 /nfs/dbraw/zinc/72/80/05/542728005.db2.gz YTKXURFQIWDMIJ-QWRGUYRKSA-N 1 0 311.223 2.580 20 70 DFIDRO Fc1ccc(OCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161367726 542729386 /nfs/dbraw/zinc/72/93/86/542729386.db2.gz VYZRZCPVIYTRBM-UHFFFAOYSA-N 1 0 315.392 2.812 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000160775754 542724186 /nfs/dbraw/zinc/72/41/86/542724186.db2.gz FIFAIEICSMQNDJ-LSDHHAIUSA-N 1 0 313.401 2.660 20 70 DFIDRO C[C@H](CSc1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160786393 542724718 /nfs/dbraw/zinc/72/47/18/542724718.db2.gz NSWBJNANHISWHN-KWCYVHTRSA-N 1 0 310.438 2.940 20 70 DFIDRO Cc1cc(C)c(C)c(OCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160823481 542724936 /nfs/dbraw/zinc/72/49/36/542724936.db2.gz DGRVEBAKRQHTFF-JKSUJKDBSA-N 1 0 304.434 2.767 20 70 DFIDRO COc1ccc2cc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c(C)nc2c1 ZINC000160909222 542725720 /nfs/dbraw/zinc/72/57/20/542725720.db2.gz SEAADBJDHTXVGB-ZIAGYGMSSA-N 1 0 313.401 2.552 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000161017260 542726183 /nfs/dbraw/zinc/72/61/83/542726183.db2.gz YVDZVGFRJRFLES-VXGBXAGGSA-N 1 0 317.216 2.758 20 70 DFIDRO CCO[C@H]1C[C@@H](N(C)C(=O)CC2([NH3+])CCC2)C12CCCCC2 ZINC000161022970 542726493 /nfs/dbraw/zinc/72/64/93/542726493.db2.gz XZOXXCSGHCDVAK-CABCVRRESA-N 1 0 308.466 2.844 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cnn(-c3ccccc3)c2C2CC2)C1 ZINC000161075784 542726737 /nfs/dbraw/zinc/72/67/37/542726737.db2.gz NXIBCDDMYWNKPL-GJZGRUSLSA-N 1 0 324.428 2.749 20 70 DFIDRO Cc1ccc(CCNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000217224343 542876556 /nfs/dbraw/zinc/87/65/56/542876556.db2.gz FFINYJJECQWTQB-SJORKVTESA-N 1 0 317.477 2.957 20 70 DFIDRO O=C([C@@H]1CCC[NH2+]C1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000161010893 304333188 /nfs/dbraw/zinc/33/31/88/304333188.db2.gz KEZKBHASSLXLFS-UKRRQHHQSA-N 1 0 324.877 2.956 20 70 DFIDRO O[C@@H]1CCCC[C@@H]1C[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000160453466 145220700 /nfs/dbraw/zinc/22/07/00/145220700.db2.gz KTMJLBKYHHAOQY-VQIMIIECSA-N 1 0 320.452 2.931 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](OC2CCCC2)c2ccccc2)C1 ZINC000160626546 267539766 /nfs/dbraw/zinc/53/97/66/267539766.db2.gz LCHFANWAFOSBOT-WBVHZDCISA-N 1 0 302.418 2.507 20 70 DFIDRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000218101128 268139749 /nfs/dbraw/zinc/13/97/49/268139749.db2.gz BLRLGZBELYTLBO-NFOMZHRRSA-N 1 0 312.454 2.839 20 70 DFIDRO [NH3+][C@H]1CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000160380675 425980439 /nfs/dbraw/zinc/98/04/39/425980439.db2.gz BZHVFVXGWJRYPU-NSHDSACASA-N 1 0 306.207 2.530 20 70 DFIDRO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160351264 425980660 /nfs/dbraw/zinc/98/06/60/425980660.db2.gz HDAVMLRAZOLKRX-ZBFHGGJFSA-N 1 0 304.434 2.835 20 70 DFIDRO Cc1cc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)nc(-c2cccnc2)n1 ZINC000160425679 425981726 /nfs/dbraw/zinc/98/17/26/425981726.db2.gz QRIDCLJVBYUHOO-BBRMVZONSA-N 1 0 311.433 2.623 20 70 DFIDRO C=C(C)CN1CCC([NH2+]Cc2ccccc2NC(C)=O)CC1 ZINC000160430321 425982940 /nfs/dbraw/zinc/98/29/40/425982940.db2.gz SGSNZXGOZKIHID-UHFFFAOYSA-N 1 0 301.434 2.775 20 70 DFIDRO C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1ncc(-c2ccccc2)o1 ZINC000160477329 425984247 /nfs/dbraw/zinc/98/42/47/425984247.db2.gz FXNMVDJJUFJXKL-SMDDNHRTSA-N 1 0 301.390 2.892 20 70 DFIDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccco1 ZINC000160490174 425984288 /nfs/dbraw/zinc/98/42/88/425984288.db2.gz CRXXQWKCZSGLAF-HNNXBMFYSA-N 1 0 300.402 2.963 20 70 DFIDRO Cn1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)c(-c2ccncc2)n1 ZINC000160513512 425985076 /nfs/dbraw/zinc/98/50/76/425985076.db2.gz BLHXYXLGITVRLI-OAHLLOKOSA-N 1 0 300.406 2.529 20 70 DFIDRO CC(=O)N(c1nc(C[NH2+][C@@H]2CCOC(C)(C)C2)cs1)C1CC1 ZINC000160526735 425985562 /nfs/dbraw/zinc/98/55/62/425985562.db2.gz OEKVTNBJPLLXJU-GFCCVEGCSA-N 1 0 323.462 2.706 20 70 DFIDRO CC1(C)CCC(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000160542838 425986350 /nfs/dbraw/zinc/98/63/50/425986350.db2.gz LXAPAFASIAABQN-HNNXBMFYSA-N 1 0 322.493 2.820 20 70 DFIDRO O=C(c1ccc(OC(F)(F)F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160564638 425987816 /nfs/dbraw/zinc/98/78/16/425987816.db2.gz NOUBDMRMNNGSTC-TXEJJXNPSA-N 1 0 314.307 2.552 20 70 DFIDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(F)c1 ZINC000160580682 425988343 /nfs/dbraw/zinc/98/83/43/425988343.db2.gz OPMLUXIZKRSFRM-CZUORRHYSA-N 1 0 308.353 2.861 20 70 DFIDRO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000160599984 425988895 /nfs/dbraw/zinc/98/88/95/425988895.db2.gz UPZSKGDNTBPFQY-DLBZAZTESA-N 1 0 314.433 2.767 20 70 DFIDRO Cc1c([C@H](C)[NH2+]CC(C)(C)O)nnn1-c1cccc(Cl)c1 ZINC000160585703 425989023 /nfs/dbraw/zinc/98/90/23/425989023.db2.gz OPVIGOKYWJODRK-JTQLQIEISA-N 1 0 308.813 2.651 20 70 DFIDRO C[N@H+](CCc1nccs1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161015266 426005856 /nfs/dbraw/zinc/00/58/56/426005856.db2.gz HGBZVUJORLKKLV-UHFFFAOYSA-N 1 0 323.506 2.902 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC000160760779 425995265 /nfs/dbraw/zinc/99/52/65/425995265.db2.gz NNVZEXLFKJGVSC-SKDRFNHKSA-N 1 0 317.216 2.581 20 70 DFIDRO CC(C)S(=O)(=O)CCCN(C)CCCOc1ccccc1 ZINC000160809607 425996952 /nfs/dbraw/zinc/99/69/52/425996952.db2.gz WXSMBXAPIRFGRW-UHFFFAOYSA-N 1 0 313.463 2.601 20 70 DFIDRO C[C@@H]1CCO[C@H]1C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000160845754 425997259 /nfs/dbraw/zinc/99/72/59/425997259.db2.gz ZLWWJGNILDTPCI-SOLBZPMBSA-N 1 0 316.445 2.534 20 70 DFIDRO CC[NH+](CC)CCNC(=O)N1CCc2c(Cl)cccc2C1 ZINC000160842727 425997994 /nfs/dbraw/zinc/99/79/94/425997994.db2.gz GIHMMVITKLEUCD-UHFFFAOYSA-N 1 0 309.841 2.750 20 70 DFIDRO CN(C)c1ccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c(F)c1 ZINC000160876334 425998839 /nfs/dbraw/zinc/99/88/39/425998839.db2.gz JVMIONGQWWDEOQ-UHFFFAOYSA-N 1 0 316.380 2.601 20 70 DFIDRO CN(C(=O)c1cc[nH]c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160876500 425999316 /nfs/dbraw/zinc/99/93/16/425999316.db2.gz CCTRTYQUAVBBPI-UHFFFAOYSA-N 1 0 313.401 2.766 20 70 DFIDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000160903536 426000467 /nfs/dbraw/zinc/00/04/67/426000467.db2.gz NRDMSMLHTADGJF-HNNXBMFYSA-N 1 0 312.373 2.924 20 70 DFIDRO CC(C)[C@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000160902596 426000506 /nfs/dbraw/zinc/00/05/06/426000506.db2.gz UMXUHXAOTDIOMM-QILLFSRXSA-N 1 0 314.433 2.979 20 70 DFIDRO C[C@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000160903406 426000644 /nfs/dbraw/zinc/00/06/44/426000644.db2.gz BAVMPFJMKHDKAX-SNRMKQJTSA-N 1 0 308.425 2.961 20 70 DFIDRO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N(C1CC1)C1CCCC1 ZINC000160916073 426001651 /nfs/dbraw/zinc/00/16/51/426001651.db2.gz VBBUTDRVWSXBKD-DNVCBOLYSA-N 1 0 320.477 2.547 20 70 DFIDRO CC[NH+](CC)CCNC(=O)CCc1ccc(Cl)c(OC)c1 ZINC000160965176 426002861 /nfs/dbraw/zinc/00/28/61/426002861.db2.gz ZFCQAGUWZHRBRV-UHFFFAOYSA-N 1 0 312.841 2.739 20 70 DFIDRO C[C@H]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160941879 426003257 /nfs/dbraw/zinc/00/32/57/426003257.db2.gz JHOAIIDWIDYQEJ-JKSUJKDBSA-N 1 0 315.461 2.989 20 70 DFIDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161000099 426004089 /nfs/dbraw/zinc/00/40/89/426004089.db2.gz UUYHKUKAINFODG-ZBFHGGJFSA-N 1 0 310.482 2.506 20 70 DFIDRO COCCN(C)CC[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000159371123 425958993 /nfs/dbraw/zinc/95/89/93/425958993.db2.gz DWJOKHDAZXAGNF-QGZVFWFLSA-N 1 0 306.450 2.685 20 70 DFIDRO C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)Cc1cccc(F)c1 ZINC000159407557 425960622 /nfs/dbraw/zinc/96/06/22/425960622.db2.gz OEUMCEUMLGAOIG-RRQGHBQHSA-N 1 0 304.409 2.747 20 70 DFIDRO [NH3+]C1(CNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CCCCC1 ZINC000159460966 425960812 /nfs/dbraw/zinc/96/08/12/425960812.db2.gz PTBHWISPFGROMB-UHFFFAOYSA-N 1 0 316.380 2.607 20 70 DFIDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159542877 425961467 /nfs/dbraw/zinc/96/14/67/425961467.db2.gz LNCILQWMOYXWHU-GOEBONIOSA-N 1 0 310.482 2.506 20 70 DFIDRO COc1ccc2cc(C[N@@H+]3C[C@H](C(N)=O)CC[C@H]3C)ccc2c1 ZINC000159534691 425962365 /nfs/dbraw/zinc/96/23/65/425962365.db2.gz JVCKJJCVJXXPTL-CXAGYDPISA-N 1 0 312.413 2.934 20 70 DFIDRO CCOc1cc(C)ccc1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000159591150 425962855 /nfs/dbraw/zinc/96/28/55/425962855.db2.gz CRPWKLPGQJSYDC-UHFFFAOYSA-N 1 0 321.465 2.875 20 70 DFIDRO Cc1ccc2c(CC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)coc2c1C ZINC000159570055 425963212 /nfs/dbraw/zinc/96/32/12/425963212.db2.gz KRQNSDOGGZXFRT-IYBDPMFKSA-N 1 0 312.413 2.945 20 70 DFIDRO Cc1ccc(C[C@H]([NH2+]CCCN2CCCC2=O)C2CC2)cc1 ZINC000159591509 425963295 /nfs/dbraw/zinc/96/32/95/425963295.db2.gz JHNIYBUNVKICGJ-SFHVURJKSA-N 1 0 300.446 2.918 20 70 DFIDRO Cc1cccc(C)c1CCNC(=O)N(CC[NH+](C)C)C(C)C ZINC000159745272 425966365 /nfs/dbraw/zinc/96/63/65/425966365.db2.gz LDSZWSGMTUVPFH-UHFFFAOYSA-N 1 0 305.466 2.828 20 70 DFIDRO CN1CCCN(c2ncc(Cl)cc2Br)CC1 ZINC000159726802 425966413 /nfs/dbraw/zinc/96/64/13/425966413.db2.gz RTFZRYCEHQVSET-UHFFFAOYSA-N 1 0 304.619 2.639 20 70 DFIDRO O=C(NC[C@H]1CCc2ccccc21)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000159729893 425966731 /nfs/dbraw/zinc/96/67/31/425966731.db2.gz GHKZIKBRCJNLJQ-MJGOQNOKSA-N 1 0 306.409 2.547 20 70 DFIDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000159763952 425967591 /nfs/dbraw/zinc/96/75/91/425967591.db2.gz FDMTUDOGAIBLTQ-ZWKOTPCHSA-N 1 0 308.441 2.883 20 70 DFIDRO NC(=O)CC1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000159801880 425967736 /nfs/dbraw/zinc/96/77/36/425967736.db2.gz IQBCXBXKWYQUEI-UHFFFAOYSA-N 1 0 321.471 2.959 20 70 DFIDRO C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000159858543 425969114 /nfs/dbraw/zinc/96/91/14/425969114.db2.gz FPNMRPBZGPCWFT-ANQUJSFKSA-N 1 0 321.534 2.813 20 70 DFIDRO C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159819793 425969147 /nfs/dbraw/zinc/96/91/47/425969147.db2.gz ADVQVOVZPKGONT-AWEZNQCLSA-N 1 0 318.436 2.995 20 70 DFIDRO CC(C)Cc1nc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cs1 ZINC000159836873 425969269 /nfs/dbraw/zinc/96/92/69/425969269.db2.gz SXGWBGBOUPVRSQ-UHFFFAOYSA-N 1 0 321.490 2.946 20 70 DFIDRO CN(C(=O)Nc1cccc(C(F)(F)F)c1)[C@H](C[NH3+])C1CC1 ZINC000159903891 425969962 /nfs/dbraw/zinc/96/99/62/425969962.db2.gz SRZWYQBAILMPEY-GFCCVEGCSA-N 1 0 301.312 2.906 20 70 DFIDRO O=C(c1ccc(Cl)c2cccnc12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159909980 425970465 /nfs/dbraw/zinc/97/04/65/425970465.db2.gz NOWMYUWFBQCDCV-TXEJJXNPSA-N 1 0 315.804 2.855 20 70 DFIDRO C[C@@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)[NH+]1CCCCCC1 ZINC000159889014 425970958 /nfs/dbraw/zinc/97/09/58/425970958.db2.gz ZRDFYBYHNYJTIW-JKSUJKDBSA-N 1 0 308.466 2.859 20 70 DFIDRO Cc1ccc(C(=O)CC[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1 ZINC000159959161 425972009 /nfs/dbraw/zinc/97/20/09/425972009.db2.gz SSVLEFHBIQMROF-INIZCTEOSA-N 1 0 311.429 2.866 20 70 DFIDRO Cc1ccc(-n2cc(C(=O)NCCC[NH3+])c(C(C)(C)C)n2)cc1 ZINC000160111587 425974013 /nfs/dbraw/zinc/97/40/13/425974013.db2.gz WYVSKXNTXIVCAQ-UHFFFAOYSA-N 1 0 314.433 2.557 20 70 DFIDRO C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NCCC[NH3+] ZINC000160153303 425975020 /nfs/dbraw/zinc/97/50/20/425975020.db2.gz IUHBXGDKAVLTJL-HNNXBMFYSA-N 1 0 312.413 2.510 20 70 DFIDRO COc1cccc(CCC[N@@H+]2CCC[C@H](NC(=O)C(C)C)C2)c1 ZINC000160125742 425975174 /nfs/dbraw/zinc/97/51/74/425975174.db2.gz NDJJWSMQJCLOHD-KRWDZBQOSA-N 1 0 318.461 2.864 20 70 DFIDRO Cc1cc(OCCCC(=O)N2CCC[C@H]2C[NH3+])ccc1Cl ZINC000160192171 425976499 /nfs/dbraw/zinc/97/64/99/425976499.db2.gz JCWKJXREPINHCM-ZDUSSCGKSA-N 1 0 310.825 2.757 20 70 DFIDRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2coc3ccccc32)N1 ZINC000160297032 425977169 /nfs/dbraw/zinc/97/71/69/425977169.db2.gz BFBKYEXCMRVLRY-OAHLLOKOSA-N 1 0 303.325 2.879 20 70 DFIDRO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161015972 426005527 /nfs/dbraw/zinc/00/55/27/426005527.db2.gz KDYIAHUXNPVCHL-YWTNHNAXSA-N 1 0 322.493 2.651 20 70 DFIDRO CN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161426216 426022861 /nfs/dbraw/zinc/02/28/61/426022861.db2.gz GZVZIHBQXYKJAP-LZVAUXPFSA-N 1 0 320.383 2.810 20 70 DFIDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000161418700 426023143 /nfs/dbraw/zinc/02/31/43/426023143.db2.gz BHDCLXHUNXEYKV-DOTOQJQBSA-N 1 0 304.434 2.870 20 70 DFIDRO CS[C@@H](C)CC(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000161454901 426024032 /nfs/dbraw/zinc/02/40/32/426024032.db2.gz KOTCEJJUGWCLLF-LBPRGKRZSA-N 1 0 323.462 2.657 20 70 DFIDRO COc1ccccc1[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000161439147 426024650 /nfs/dbraw/zinc/02/46/50/426024650.db2.gz TVRIYOBGCOASNV-QAPCUYQASA-N 1 0 310.397 2.711 20 70 DFIDRO CCCOc1cccc(CCNC(=O)[C@@H](CCC)[NH+](C)C)c1 ZINC000161449212 426024781 /nfs/dbraw/zinc/02/47/81/426024781.db2.gz VZLXRDJJIQCBSC-QGZVFWFLSA-N 1 0 306.450 2.864 20 70 DFIDRO [NH3+]C[C@@H]1CCCCN1Cc1ccc(Br)c(F)c1 ZINC000161490715 426026804 /nfs/dbraw/zinc/02/68/04/426026804.db2.gz HVUMTSDLJLWLTL-NSHDSACASA-N 1 0 301.203 2.901 20 70 DFIDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)NCCc2cccs2)CC1 ZINC000161161409 426011014 /nfs/dbraw/zinc/01/10/14/426011014.db2.gz HBSPTYWDFSUNHX-AWEZNQCLSA-N 1 0 321.490 2.949 20 70 DFIDRO COCCC1(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000161155449 426011231 /nfs/dbraw/zinc/01/12/31/426011231.db2.gz FBMFIRUXPUECAV-KRWDZBQOSA-N 1 0 322.493 2.774 20 70 DFIDRO CCCC[N@H+](C)CCNC(=O)Nc1ccn(CCC(C)C)n1 ZINC000161163914 426011422 /nfs/dbraw/zinc/01/14/22/426011422.db2.gz FPUBPYQUMWSRPM-UHFFFAOYSA-N 1 0 309.458 2.783 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)COc1cc(Cl)ccc1Cl ZINC000161157630 426011503 /nfs/dbraw/zinc/01/15/03/426011503.db2.gz PLDRCWOFPKCYOF-LLVKDONJSA-N 1 0 317.216 2.583 20 70 DFIDRO O=C(c1cc(F)cc2cccnc21)N1CC[NH+](CC2CC2)CC1 ZINC000161181847 426012085 /nfs/dbraw/zinc/01/20/85/426012085.db2.gz CQYVHAAAVLGCOA-UHFFFAOYSA-N 1 0 313.376 2.542 20 70 DFIDRO COCC(C)(C)C(=O)NC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000161256666 426014555 /nfs/dbraw/zinc/01/45/55/426014555.db2.gz BHKGRGPBXCYGDG-NVXWUHKLSA-N 1 0 318.461 2.686 20 70 DFIDRO CCOCc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161273269 426016404 /nfs/dbraw/zinc/01/64/04/426016404.db2.gz NIJKFNQWSMISEL-UHFFFAOYSA-N 1 0 305.418 2.998 20 70 DFIDRO CCCn1c2ccccc2nc1NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161293765 426017419 /nfs/dbraw/zinc/01/74/19/426017419.db2.gz SYJHEYAARKKWBR-QGZVFWFLSA-N 1 0 300.406 2.775 20 70 DFIDRO CCC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)[NH+](C)C ZINC000161280767 426017420 /nfs/dbraw/zinc/01/74/20/426017420.db2.gz QUMONAUAHHBFGQ-SWLSCSKDSA-N 1 0 308.422 2.611 20 70 DFIDRO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000161288296 426017551 /nfs/dbraw/zinc/01/75/51/426017551.db2.gz CJWUQMQGKOQXNG-OAHLLOKOSA-N 1 0 313.380 2.688 20 70 DFIDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3)C2=O)C1(C)C ZINC000161289226 426017607 /nfs/dbraw/zinc/01/76/07/426017607.db2.gz YWOOSMXCCAFAJP-OWCLPIDISA-N 1 0 302.418 2.585 20 70 DFIDRO C[C@@]1(C(=O)Nc2cccc(Oc3cnccn3)c2)CCC[NH2+]C1 ZINC000161366069 426021492 /nfs/dbraw/zinc/02/14/92/426021492.db2.gz IGFQFOSPDBFSQZ-QGZVFWFLSA-N 1 0 312.373 2.597 20 70 DFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)c1ccc(OC)cc1 ZINC000161389172 426021737 /nfs/dbraw/zinc/02/17/37/426021737.db2.gz MXNCCCSUASEEOL-AWEZNQCLSA-N 1 0 306.450 2.819 20 70 DFIDRO CCC[C@H](C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)[NH+](C)C ZINC000161393952 426021831 /nfs/dbraw/zinc/02/18/31/426021831.db2.gz WMKHIFWTKKGZFO-MRXNPFEDSA-N 1 0 317.433 2.591 20 70 DFIDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000161402438 426022166 /nfs/dbraw/zinc/02/21/66/426022166.db2.gz CEFHMICLWNSRTM-HNNXBMFYSA-N 1 0 312.417 2.613 20 70 DFIDRO CCC[C@H](O)C[NH2+]Cc1ccc(I)cc1 ZINC000217913320 426565871 /nfs/dbraw/zinc/56/58/71/426565871.db2.gz NZTHZLZFZROTQS-LBPRGKRZSA-N 1 0 319.186 2.542 20 70 DFIDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1cccc2cccnc21 ZINC000218163279 426566308 /nfs/dbraw/zinc/56/63/08/426566308.db2.gz BCFRMSUJOQAOFH-UHFFFAOYSA-N 1 0 301.390 2.849 20 70 DFIDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCSC1 ZINC000159568199 274206530 /nfs/dbraw/zinc/20/65/30/274206530.db2.gz ZOZOXKDBFJXHGV-WCQYABFASA-N 1 0 323.418 2.797 20 70 DFIDRO O=C(Cc1ccccc1C(F)(F)F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159523463 274978128 /nfs/dbraw/zinc/97/81/28/274978128.db2.gz JCFIFHDALRTBRN-BETUJISGSA-N 1 0 312.335 2.601 20 70 DFIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccccc1Cl ZINC000160019735 278435540 /nfs/dbraw/zinc/43/55/40/278435540.db2.gz OQTHXNFLHSFIBC-WNMQOVRZSA-N 1 0 308.809 2.811 20 70 DFIDRO COc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC1=O)CCCO2 ZINC000159476322 295274323 /nfs/dbraw/zinc/27/43/23/295274323.db2.gz HSHUKRHSBXRUIZ-MRXNPFEDSA-N 1 0 318.417 2.511 20 70 DFIDRO C[NH+](C)CCN(C(=O)NCCc1cccc(F)c1)C1CCCC1 ZINC000159386857 295376086 /nfs/dbraw/zinc/37/60/86/295376086.db2.gz CVEHYFZDDTYOGV-UHFFFAOYSA-N 1 0 321.440 2.884 20 70 DFIDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c(C)c1 ZINC000159422077 295376424 /nfs/dbraw/zinc/37/64/24/295376424.db2.gz CSSHEQJJWURFTF-QGZVFWFLSA-N 1 0 324.490 2.597 20 70 DFIDRO C[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C[C@@H]1CCC[C@@H]1O ZINC000159542492 295378180 /nfs/dbraw/zinc/37/81/80/295378180.db2.gz NPIALTJQIVLSHG-STQMWFEESA-N 1 0 318.339 2.616 20 70 DFIDRO CCC[C@H](C(=O)NC[C@@H](Nc1ccccc1)C(C)C)[NH+](C)C ZINC000159562642 295378490 /nfs/dbraw/zinc/37/84/90/295378490.db2.gz MKNWJVMCCYYGDI-IAGOWNOFSA-N 1 0 305.466 2.970 20 70 DFIDRO Cc1cc(C)c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)[nH]1 ZINC000159642310 295379447 /nfs/dbraw/zinc/37/94/47/295379447.db2.gz UZXSYOLWIZHRPR-OAHLLOKOSA-N 1 0 303.381 2.803 20 70 DFIDRO COc1cc(C)cc(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000159639379 295379462 /nfs/dbraw/zinc/37/94/62/295379462.db2.gz IACQFQGMMFJSPI-INIZCTEOSA-N 1 0 321.465 2.779 20 70 DFIDRO COc1cccc([C@H](CNC(=O)c2[nH]c(C)cc2C)[NH+](C)C)c1 ZINC000159650071 295379795 /nfs/dbraw/zinc/37/97/95/295379795.db2.gz YAKMFDIQYUSBSW-INIZCTEOSA-N 1 0 315.417 2.673 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N1CCC(C)CC1 ZINC000159788974 295381411 /nfs/dbraw/zinc/38/14/11/295381411.db2.gz PGPZQXWCQHJDJP-UHFFFAOYSA-N 1 0 309.479 2.655 20 70 DFIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)N2CCCCC2)n1 ZINC000159853397 295382602 /nfs/dbraw/zinc/38/26/02/295382602.db2.gz DURHSCRHJVHZIH-QGZVFWFLSA-N 1 0 301.434 2.930 20 70 DFIDRO O=C(NCC[NH+]1CCCCCC1)c1cc(F)cc2cccnc21 ZINC000160001737 295385071 /nfs/dbraw/zinc/38/50/71/295385071.db2.gz GEMKAOMGOUFEDM-UHFFFAOYSA-N 1 0 315.392 2.980 20 70 DFIDRO CC(C)[NH2+]CCC(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000160124998 295386812 /nfs/dbraw/zinc/38/68/12/295386812.db2.gz MUHUSXRZSMBLSZ-SFHVURJKSA-N 1 0 318.461 2.975 20 70 DFIDRO CCC[NH+]1CCC(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000160164275 295387375 /nfs/dbraw/zinc/38/73/75/295387375.db2.gz HDFVQLMQHZAWJS-CQSZACIVSA-N 1 0 324.490 2.615 20 70 DFIDRO C[C@@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)C1CCOCC1 ZINC000160369943 295390473 /nfs/dbraw/zinc/39/04/73/295390473.db2.gz BZOSHPIYXCKGMD-CXAGYDPISA-N 1 0 322.424 2.607 20 70 DFIDRO C[C@@H](C(=O)N(C)c1ccc2c(c1)OCO2)[NH+]1CCCCCC1 ZINC000160350675 295390477 /nfs/dbraw/zinc/39/04/77/295390477.db2.gz SICQNYJURQAKLH-ZDUSSCGKSA-N 1 0 304.390 2.643 20 70 DFIDRO CCC(CC)n1ncc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c1C ZINC000160448421 295391020 /nfs/dbraw/zinc/39/10/20/295391020.db2.gz NCAIZDHCVYJRRU-MRXNPFEDSA-N 1 0 306.454 2.623 20 70 DFIDRO O=C(CN1CC[NH+](CCC2CCCC2)CC1)NC1CCCCC1 ZINC000160506646 295392209 /nfs/dbraw/zinc/39/22/09/295392209.db2.gz KCBWVZOHJPQLIL-UHFFFAOYSA-N 1 0 321.509 2.633 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)C1 ZINC000160748301 295394983 /nfs/dbraw/zinc/39/49/83/295394983.db2.gz XRBDAUSWSRZHGQ-LQYUOIDQSA-N 1 0 315.804 2.722 20 70 DFIDRO CCS[C@H]1CC[C@H](N(C)C(=O)NCC[NH+](CC)CC)C1 ZINC000161486273 295403200 /nfs/dbraw/zinc/40/32/00/295403200.db2.gz PSBMRXKSOKQAPN-KBPBESRZSA-N 1 0 301.500 2.644 20 70 DFIDRO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160351148 301540088 /nfs/dbraw/zinc/54/00/88/301540088.db2.gz HDAVMLRAZOLKRX-HOCLYGCPSA-N 1 0 304.434 2.835 20 70 DFIDRO N#CCC[C@H](NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000160719274 332888902 /nfs/dbraw/zinc/88/89/02/332888902.db2.gz MAQVBIWHLOEBSW-ROUUACIJSA-N 1 0 324.428 2.687 20 70 DFIDRO C=C(Cl)C[NH2+][C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000161002337 332179675 /nfs/dbraw/zinc/17/96/75/332179675.db2.gz XGWNMFJQIUVEJB-OLZOCXBDSA-N 1 0 318.845 2.743 20 70 DFIDRO CC(C)(C)c1ncc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)s1 ZINC000160395238 519107274 /nfs/dbraw/zinc/10/72/74/519107274.db2.gz DABOQBAUMLWJKW-LZGDYBNZSA-N 1 0 319.474 2.807 20 70 DFIDRO CCC[NH+]1CCC(NC(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC000159749192 519846597 /nfs/dbraw/zinc/84/65/97/519846597.db2.gz SUXDDHORCRXWQM-AWEZNQCLSA-N 1 0 323.462 2.599 20 70 DFIDRO CCC[N@@H+]1CCCN(C(=O)CCCc2ccc(OC)cc2)CC1 ZINC000160376373 519848723 /nfs/dbraw/zinc/84/87/23/519848723.db2.gz WYDNPVLYGFYHBE-UHFFFAOYSA-N 1 0 318.461 2.962 20 70 DFIDRO CCO[C@@H]1C[C@H](NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)C12CCCC2 ZINC000159554137 520412035 /nfs/dbraw/zinc/41/20/35/520412035.db2.gz RQBQSWVIIBTMAE-WCXIOVBPSA-N 1 0 322.493 2.866 20 70 DFIDRO CCSCC[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000160384532 521706393 /nfs/dbraw/zinc/70/63/93/521706393.db2.gz AFUWCXOYLMYYGE-UHFFFAOYSA-N 1 0 310.463 2.844 20 70 DFIDRO COCC[C@@H](C)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161129187 521799108 /nfs/dbraw/zinc/79/91/08/521799108.db2.gz PGOGMCRKRQDHAH-ZIAGYGMSSA-N 1 0 312.404 2.944 20 70 DFIDRO COC(=O)c1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1 ZINC000160516612 522005901 /nfs/dbraw/zinc/00/59/01/522005901.db2.gz DGSYXVMOLLMCSP-UHFFFAOYSA-N 1 0 313.401 2.586 20 70 DFIDRO COc1cc(O)c(C[N@@H+]2CC[C@H](OCC(C)C)C2)cc1OC ZINC000160403707 522779639 /nfs/dbraw/zinc/77/96/39/522779639.db2.gz YBPXVJRJNRRVFQ-AWEZNQCLSA-N 1 0 309.406 2.656 20 70 DFIDRO CN(CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000160322292 522837330 /nfs/dbraw/zinc/83/73/30/522837330.db2.gz AVMMHJDNWCHMCT-SJLPKXTDSA-N 1 0 306.425 2.758 20 70 DFIDRO CN(Cc1cc(Br)ccc1F)[C@@H](C[NH3+])C1CC1 ZINC000159668877 523164222 /nfs/dbraw/zinc/16/42/22/523164222.db2.gz SULLJFDJHPFXGZ-ZDUSSCGKSA-N 1 0 301.203 2.757 20 70 DFIDRO O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CC[NH+](CC2CC2)CC1 ZINC000161130920 526508928 /nfs/dbraw/zinc/50/89/28/526508928.db2.gz VGFPXLRDRORLLY-GOEBONIOSA-N 1 0 320.383 2.623 20 70 DFIDRO CC1(C)Cc2cccc(C[NH2+]CCN3CCSCC3)c2O1 ZINC000217805082 534955280 /nfs/dbraw/zinc/95/52/80/534955280.db2.gz RZRJUYSUWWXNBU-UHFFFAOYSA-N 1 0 306.475 2.539 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CC(C)(C)Cc3occc31)CC2 ZINC000160400421 282127657 /nfs/dbraw/zinc/12/76/57/282127657.db2.gz AIBSNICTRPFWGE-OCCSQVGLSA-N 1 0 300.406 2.798 20 70 DFIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc2[nH]cnc21 ZINC000159531464 186125456 /nfs/dbraw/zinc/12/54/56/186125456.db2.gz DJQAFDHGCKYWHU-ZDUSSCGKSA-N 1 0 300.406 2.557 20 70 DFIDRO CC[C@H](NC(=O)N1CCC[N@H+](CC)CC1)c1ccc(OC)cc1 ZINC000159544956 186126297 /nfs/dbraw/zinc/12/62/97/186126297.db2.gz PFGDSRRTRNYVPZ-KRWDZBQOSA-N 1 0 319.449 2.884 20 70 DFIDRO COC[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159592325 186129551 /nfs/dbraw/zinc/12/95/51/186129551.db2.gz PEIHEIGOPYKJGT-MAUKXSAKSA-N 1 0 312.413 2.861 20 70 DFIDRO Cc1cccc(C(=O)NCC[NH2+]C2CCCCCC2)c1[N+](=O)[O-] ZINC000159636125 186132538 /nfs/dbraw/zinc/13/25/38/186132538.db2.gz DZQZOFBXSHKOFI-UHFFFAOYSA-N 1 0 319.405 2.945 20 70 DFIDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(Cl)c1 ZINC000159731918 186137966 /nfs/dbraw/zinc/13/79/66/186137966.db2.gz WEIJFKZGINMRFC-UHFFFAOYSA-N 1 0 321.764 2.542 20 70 DFIDRO Cc1ccc([C@@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159750159 186139089 /nfs/dbraw/zinc/13/90/89/186139089.db2.gz UOEVXRUXWXPDBH-CQSZACIVSA-N 1 0 315.373 2.758 20 70 DFIDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159751107 186139419 /nfs/dbraw/zinc/13/94/19/186139419.db2.gz GEMXCSHYNIFOFV-UHFFFAOYSA-N 1 0 317.389 2.507 20 70 DFIDRO COCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159723224 398965971 /nfs/dbraw/zinc/96/59/71/398965971.db2.gz LAXYLYZXNLOPQE-ROUUACIJSA-N 1 0 316.445 2.714 20 70 DFIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000160238683 398969311 /nfs/dbraw/zinc/96/93/11/398969311.db2.gz VRYOSYUCRVHLIG-LLVKDONJSA-N 1 0 322.232 2.748 20 70 DFIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccccc1)C1CC1 ZINC000160718458 398971597 /nfs/dbraw/zinc/97/15/97/398971597.db2.gz RNZZRLKSXDIOJF-KRWDZBQOSA-N 1 0 313.445 2.845 20 70 DFIDRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C(CC)(CC)C[NH3+] ZINC000161168653 197471364 /nfs/dbraw/zinc/47/13/64/197471364.db2.gz AHRICIXFAFJPJB-UHFFFAOYSA-N 1 0 322.449 2.817 20 70 DFIDRO C[C@@H]([NH2+]CCOc1ccccc1Br)[C@H]1CCOC1 ZINC000160905759 197449276 /nfs/dbraw/zinc/44/92/76/197449276.db2.gz VWTOOUVNDZQJSC-NEPJUHHUSA-N 1 0 314.223 2.843 20 70 DFIDRO CC(C)(C)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000160632422 197427396 /nfs/dbraw/zinc/42/73/96/197427396.db2.gz WDFYSPHJXJBCAL-CYBMUJFWSA-N 1 0 324.490 2.622 20 70 DFIDRO C[C@@H]1CC[C@H](CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000160521645 197419142 /nfs/dbraw/zinc/41/91/42/197419142.db2.gz NNANUDRVCFBJJI-ATLSCFEFSA-N 1 0 322.493 2.697 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCSc3ccc(F)cc31)CC2 ZINC000160301506 197399134 /nfs/dbraw/zinc/39/91/34/197399134.db2.gz UARLLJPOBKSWQP-GXTWGEPZSA-N 1 0 318.421 2.867 20 70 DFIDRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cnn1CC(C)C ZINC000160290070 197398627 /nfs/dbraw/zinc/39/86/27/197398627.db2.gz GQLFKFJPSPLPRS-MRXNPFEDSA-N 1 0 320.481 2.698 20 70 DFIDRO Cc1cccc2[nH]c(CNC(=O)C3CC[NH+](C(C)C)CC3)nc21 ZINC000160238606 197394914 /nfs/dbraw/zinc/39/49/14/197394914.db2.gz SDTGJOYZYLTJBQ-UHFFFAOYSA-N 1 0 314.433 2.608 20 70 DFIDRO CN(CC[NH2+][C@H]1CCCc2c1cnn2C)Cc1ccc(F)cc1 ZINC000160146253 197389254 /nfs/dbraw/zinc/38/92/54/197389254.db2.gz NDQJPCITQPCQOB-KRWDZBQOSA-N 1 0 316.424 2.658 20 70 DFIDRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000160055201 197382918 /nfs/dbraw/zinc/38/29/18/197382918.db2.gz FYAVAMBAUDOEHV-WMLDXEAASA-N 1 0 324.490 2.726 20 70 DFIDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000160055063 197382763 /nfs/dbraw/zinc/38/27/63/197382763.db2.gz FYAVAMBAUDOEHV-PBHICJAKSA-N 1 0 324.490 2.726 20 70 DFIDRO CC(C)Cc1ccc(C(=O)CCC(=O)NCC(C)(C)[NH3+])cc1 ZINC000160042218 197381769 /nfs/dbraw/zinc/38/17/69/197381769.db2.gz NCYJKLCZKCTSSB-UHFFFAOYSA-N 1 0 304.434 2.702 20 70 DFIDRO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H](C)[NH3+])s2)cc1 ZINC000160129474 197388320 /nfs/dbraw/zinc/38/83/20/197388320.db2.gz ZRHCVRUKVQQJOI-ZJUUUORDSA-N 1 0 319.430 2.652 20 70 DFIDRO CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)c2ccc(F)cc2F)C1 ZINC000160121315 197387265 /nfs/dbraw/zinc/38/72/65/197387265.db2.gz MFDUDYKMVSICNN-CHWSQXEVSA-N 1 0 310.388 2.916 20 70 DFIDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000160121772 197387368 /nfs/dbraw/zinc/38/73/68/197387368.db2.gz FHUMASZBLOPRHV-INIZCTEOSA-N 1 0 322.474 2.717 20 70 DFIDRO CC[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cnn(C)c1 ZINC000160109988 197386474 /nfs/dbraw/zinc/38/64/74/197386474.db2.gz CZQVBSQDWATATK-KRWDZBQOSA-N 1 0 304.413 2.732 20 70 DFIDRO CCCN(CCc1cccc(F)c1)C(=O)[C@@H]([NH3+])CCSC ZINC000160097393 197385681 /nfs/dbraw/zinc/38/56/81/197385681.db2.gz VDHQIGQDISBUDV-HNNXBMFYSA-N 1 0 312.454 2.687 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000160092603 197385352 /nfs/dbraw/zinc/38/53/52/197385352.db2.gz QSMINAPFZSPBKP-JTQLQIEISA-N 1 0 304.362 2.615 20 70 DFIDRO CCCN(CCc1cccc(F)c1)C(=O)[C@H]([NH3+])CCSC ZINC000160097246 197385401 /nfs/dbraw/zinc/38/54/01/197385401.db2.gz VDHQIGQDISBUDV-OAHLLOKOSA-N 1 0 312.454 2.687 20 70 DFIDRO CN(CC(=O)Nc1cc(Cl)ccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000160000738 197378782 /nfs/dbraw/zinc/37/87/82/197378782.db2.gz ZVXZQHJXHHGGLS-CYBMUJFWSA-N 1 0 316.232 2.601 20 70 DFIDRO CCOc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159852007 197369188 /nfs/dbraw/zinc/36/91/88/197369188.db2.gz BIQZQYFRUHUNEH-YOEHRIQHSA-N 1 0 320.433 2.507 20 70 DFIDRO CC[C@H](NC(=O)N1CCC[N@H+](CC)CC1)c1nc(C)cs1 ZINC000159826397 197367035 /nfs/dbraw/zinc/36/70/35/197367035.db2.gz TWCPCUPZFBOAGX-ZDUSSCGKSA-N 1 0 310.467 2.640 20 70 DFIDRO CC[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1cnn(C)c1 ZINC000159789026 197364129 /nfs/dbraw/zinc/36/41/29/197364129.db2.gz UCXCVOQJXVSMPN-HNAYVOBHSA-N 1 0 312.461 2.908 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(F)cc2F)CC1 ZINC000159505325 197358451 /nfs/dbraw/zinc/35/84/51/197358451.db2.gz LUNILUTVOUKUJM-GFCCVEGCSA-N 1 0 311.376 2.763 20 70 DFIDRO CC[NH+](CC)CCNC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000159458420 197354852 /nfs/dbraw/zinc/35/48/52/197354852.db2.gz VELILXZJZLJISY-IRXDYDNUSA-N 1 0 319.449 2.548 20 70 DFIDRO COCCN(C)CC[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000159406140 197351554 /nfs/dbraw/zinc/35/15/54/197351554.db2.gz ODAODGTWASPTJD-GFCCVEGCSA-N 1 0 300.830 2.577 20 70 DFIDRO O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000159407638 197351106 /nfs/dbraw/zinc/35/11/06/197351106.db2.gz OBUNELWVNUXPOT-UHFFFAOYSA-N 1 0 315.804 2.811 20 70 DFIDRO CC(C)([NH3+])CNC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000160091388 197385010 /nfs/dbraw/zinc/38/50/10/197385010.db2.gz LYPRANGFXIMKNF-UHFFFAOYSA-N 1 0 315.851 2.992 20 70 DFIDRO CCC(C)(CC)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000159464593 542717851 /nfs/dbraw/zinc/71/78/51/542717851.db2.gz UXFYNIVBPYKFKO-QGZVFWFLSA-N 1 0 318.461 2.696 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000159848524 542719599 /nfs/dbraw/zinc/71/95/99/542719599.db2.gz PQZKZEFRSRHTLB-IAGOWNOFSA-N 1 0 301.434 2.527 20 70 DFIDRO CCn1nccc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000159936030 542720306 /nfs/dbraw/zinc/72/03/06/542720306.db2.gz RLOPEBGHCNEYET-UHFFFAOYSA-N 1 0 307.781 2.617 20 70 DFIDRO C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)Cc1cccs1 ZINC000161096667 542726949 /nfs/dbraw/zinc/72/69/49/542726949.db2.gz KVSABWBLRNGTGS-DYVFJYSZSA-N 1 0 314.454 2.930 20 70 DFIDRO CC[C@@H](C(=O)NCCc1c(Cl)cccc1Cl)[NH+](C)C ZINC000161192650 542727854 /nfs/dbraw/zinc/72/78/54/542727854.db2.gz CRUPFLISGGKOTP-ZDUSSCGKSA-N 1 0 303.233 2.992 20 70 DFIDRO COc1ccccc1CC(C)(C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161264498 542727873 /nfs/dbraw/zinc/72/78/73/542727873.db2.gz MACOCHOLFLUNOV-CABCVRRESA-N 1 0 304.434 2.650 20 70 DFIDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(C)ncn2)cc1 ZINC000161294507 542728473 /nfs/dbraw/zinc/72/84/73/542728473.db2.gz JEWGADUKUNSDCW-UHFFFAOYSA-N 1 0 312.417 2.557 20 70 DFIDRO Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@@H](C)c1nc3ccccc3[nH]1)CC2 ZINC000161316302 542728834 /nfs/dbraw/zinc/72/88/34/542728834.db2.gz AXAAOMRHXMRXQV-JQWIXIFHSA-N 1 0 323.400 2.577 20 70 DFIDRO Cc1ccc2c(CC(=O)N[C@H]3CCC[C@H]([NH3+])C3)coc2c1C ZINC000161375673 542729258 /nfs/dbraw/zinc/72/92/58/542729258.db2.gz OCJUDIDFFGBGMT-GJZGRUSLSA-N 1 0 300.402 2.978 20 70 DFIDRO Cc1cccc(OCCCCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161485697 542730002 /nfs/dbraw/zinc/73/00/02/542730002.db2.gz YDYNHHWIXQWQSW-JKSUJKDBSA-N 1 0 304.434 2.930 20 70 DFIDRO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)C[C@H](O)C1CC1 ZINC000160813124 542725445 /nfs/dbraw/zinc/72/54/45/542725445.db2.gz WFOKBBBOMRHPCO-ACJLOTCBSA-N 1 0 312.413 2.870 20 70 DFIDRO Cc1cc(Br)ccc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160888475 542725705 /nfs/dbraw/zinc/72/57/05/542725705.db2.gz ZYDUIOMDBQSIMN-VXGBXAGGSA-N 1 0 311.223 2.757 20 70 DFIDRO Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161010588 542726308 /nfs/dbraw/zinc/72/63/08/542726308.db2.gz KALPJYDCDXNTNL-ZIAGYGMSSA-N 1 0 301.365 2.682 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000161019542 542726436 /nfs/dbraw/zinc/72/64/36/542726436.db2.gz OFUSJHSPZPQVRR-UONOGXRCSA-N 1 0 301.365 2.821 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 ZINC000161103166 542726867 /nfs/dbraw/zinc/72/68/67/542726867.db2.gz WYQYMAJMAQKFNY-QWHCGFSZSA-N 1 0 319.792 2.995 20 70 DFIDRO C[NH+](C)CCCNC(=O)Nc1cccc(Br)c1 ZINC000217275749 542876401 /nfs/dbraw/zinc/87/64/01/542876401.db2.gz GZPYVVNDMUTIGB-UHFFFAOYSA-N 1 0 300.200 2.522 20 70 DFIDRO COc1cc(C)c(CN(C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000161308080 286205532 /nfs/dbraw/zinc/20/55/32/286205532.db2.gz KVFCAFVCFGGBRQ-HNNXBMFYSA-N 1 0 306.450 2.786 20 70 DFIDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000159696661 267530886 /nfs/dbraw/zinc/53/08/86/267530886.db2.gz ASGKOIIWFZAOIZ-NEPJUHHUSA-N 1 0 318.343 2.682 20 70 DFIDRO CCC(CC)(C[NH2+]Cc1c[nH]nc1C)NC(=O)OC(C)(C)C ZINC000217697850 268138785 /nfs/dbraw/zinc/13/87/85/268138785.db2.gz WBYMUOCUIMRHBW-UHFFFAOYSA-N 1 0 310.442 2.891 20 70 DFIDRO COc1ccccc1C[C@H](C)[NH2+]CCNC(=O)OC(C)(C)C ZINC000218119034 268139706 /nfs/dbraw/zinc/13/97/06/268139706.db2.gz UWPUYFGREGSJCA-ZDUSSCGKSA-N 1 0 308.422 2.741 20 70 DFIDRO C[C@H](Cn1ccnc1)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000218099528 268139728 /nfs/dbraw/zinc/13/97/28/268139728.db2.gz BSJVWSRXDAHIOJ-WLYUNCDWSA-N 1 0 322.453 2.697 20 70 DFIDRO C[C@H]([NH2+]Cc1cncn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218177561 268139950 /nfs/dbraw/zinc/13/99/50/268139950.db2.gz QTLGLRDDCFNSFA-UONOGXRCSA-N 1 0 322.453 2.545 20 70 DFIDRO C[C@H](C(=O)N(C)CCC1CCOCC1)[C@H]([NH3+])c1ccccc1 ZINC000160352984 425980477 /nfs/dbraw/zinc/98/04/77/425980477.db2.gz CUDDDGSZUXFKRY-YOEHRIQHSA-N 1 0 304.434 2.598 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](Cc1ccc(F)cc1)C(C)C)CC2 ZINC000160449438 425982653 /nfs/dbraw/zinc/98/26/53/425982653.db2.gz DOOBSHBTTAGUJS-DLBZAZTESA-N 1 0 316.424 2.897 20 70 DFIDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H]1CCCCO1 ZINC000160448387 425983029 /nfs/dbraw/zinc/98/30/29/425983029.db2.gz UOGONFMXCYLKJK-SZMVWBNQSA-N 1 0 314.429 2.698 20 70 DFIDRO COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)c(OC)c1OC ZINC000160462230 425983189 /nfs/dbraw/zinc/98/31/89/425983189.db2.gz FLBPWMPUHPECBK-ZDUSSCGKSA-N 1 0 309.406 2.760 20 70 DFIDRO CC(=O)Nc1ccccc1C[NH2+]C[C@](C)(O)c1ccsc1 ZINC000160477997 425984223 /nfs/dbraw/zinc/98/42/23/425984223.db2.gz SQLFUBCRHCRVTI-INIZCTEOSA-N 1 0 304.415 2.704 20 70 DFIDRO CC(=O)Nc1ccccc1C[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000160478082 425984433 /nfs/dbraw/zinc/98/44/33/425984433.db2.gz SQLFUBCRHCRVTI-MRXNPFEDSA-N 1 0 304.415 2.704 20 70 DFIDRO O=C(C[NH2+][C@@H]1CCSc2ccc(F)cc21)NCC(F)(F)F ZINC000160518873 425985344 /nfs/dbraw/zinc/98/53/44/425985344.db2.gz KGXRYYFUFBZRGT-SNVBAGLBSA-N 1 0 322.327 2.631 20 70 DFIDRO c1cc(C2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)n[nH]1 ZINC000160535345 425986482 /nfs/dbraw/zinc/98/64/82/425986482.db2.gz JKBDSBWQWQRDEP-UHFFFAOYSA-N 1 0 307.401 2.975 20 70 DFIDRO C[C@@H](CC(=O)NCC[NH+](C)C)c1ccc(Br)cc1 ZINC000160559021 425987798 /nfs/dbraw/zinc/98/77/98/425987798.db2.gz MSGBTVUNWCYQID-NSHDSACASA-N 1 0 313.239 2.621 20 70 DFIDRO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000160599722 425988528 /nfs/dbraw/zinc/98/85/28/425988528.db2.gz UPZSKGDNTBPFQY-IRXDYDNUSA-N 1 0 314.433 2.767 20 70 DFIDRO Cc1ncc([C@H](C)[NH2+]C[C@@H]2CC(=O)Nc3ccccc32)c(C)n1 ZINC000160593224 425988753 /nfs/dbraw/zinc/98/87/53/425988753.db2.gz WYCYNYCOMOPJOB-FZMZJTMJSA-N 1 0 310.401 2.870 20 70 DFIDRO C[C@@H](CCc1ccccc1F)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160616913 425989598 /nfs/dbraw/zinc/98/95/98/425989598.db2.gz MZCKXOAYESITRG-CWRNSKLLSA-N 1 0 304.409 2.747 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)c2cccc(OC)c2)CC1 ZINC000161023500 426005841 /nfs/dbraw/zinc/00/58/41/426005841.db2.gz VDTQLBNKJQGIOI-AWEZNQCLSA-N 1 0 304.434 2.647 20 70 DFIDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)c(OC)c1)c1cnn(C)c1 ZINC000160639709 425991502 /nfs/dbraw/zinc/99/15/02/425991502.db2.gz SUWAHYOJGPKNGI-CQSZACIVSA-N 1 0 319.405 2.687 20 70 DFIDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000160792515 425996658 /nfs/dbraw/zinc/99/66/58/425996658.db2.gz YWQFBBWPBXGLGY-RHSMWYFYSA-N 1 0 320.433 2.535 20 70 DFIDRO CCCCc1ccc(C(=O)CCC(=O)N2CC[C@@H]([NH2+]C)C2)cc1 ZINC000160797966 425996842 /nfs/dbraw/zinc/99/68/42/425996842.db2.gz JCJBRRJHLHWMIF-QGZVFWFLSA-N 1 0 316.445 2.812 20 70 DFIDRO C[C@@H]([NH3+])C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000160854554 425998885 /nfs/dbraw/zinc/99/88/85/425998885.db2.gz TXDKWAJVBBIBIN-XUSGNXJCSA-N 1 0 308.447 2.554 20 70 DFIDRO COc1ccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1Cl ZINC000160891740 426000275 /nfs/dbraw/zinc/00/02/75/426000275.db2.gz MXWIOOKTPBELFP-BBRMVZONSA-N 1 0 324.852 2.501 20 70 DFIDRO CCc1cc(=O)[nH]c(CN(Cc2ccccc2OC)C2CC2)n1 ZINC000160926238 426001697 /nfs/dbraw/zinc/00/16/97/426001697.db2.gz DGFJWBXUIAIJRG-UHFFFAOYSA-N 1 0 313.401 2.918 20 70 DFIDRO COc1ccc(CNC(=O)C[NH2+][C@H]2c3ccccc3C[C@H]2C)cc1 ZINC000160974943 426003565 /nfs/dbraw/zinc/00/35/65/426003565.db2.gz FIWMCZKHLNCFAZ-JLTOFOAXSA-N 1 0 324.424 2.835 20 70 DFIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1ccncc1 ZINC000160977409 426004083 /nfs/dbraw/zinc/00/40/83/426004083.db2.gz CUAFTLFYBBUAKD-KRWDZBQOSA-N 1 0 318.465 2.734 20 70 DFIDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1nccs1 ZINC000159388901 425959169 /nfs/dbraw/zinc/95/91/69/425959169.db2.gz XGFFAYSEKIOANW-UHFFFAOYSA-N 1 0 321.402 2.995 20 70 DFIDRO CC[C@H](C)OCC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000159395321 425959177 /nfs/dbraw/zinc/95/91/77/425959177.db2.gz UAHQMADVXBIYLP-AWEZNQCLSA-N 1 0 322.424 2.721 20 70 DFIDRO COCCN(C)CC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000159388783 425959394 /nfs/dbraw/zinc/95/93/94/425959394.db2.gz GQULCECHULEHIU-MRXNPFEDSA-N 1 0 304.434 2.601 20 70 DFIDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2C#N)C1)C1CCOCC1 ZINC000159519090 425961491 /nfs/dbraw/zinc/96/14/91/425961491.db2.gz AIPMAHQOPAXMKI-CRAIPNDOSA-N 1 0 313.445 2.932 20 70 DFIDRO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(N(C)C)cc1 ZINC000159524475 425961557 /nfs/dbraw/zinc/96/15/57/425961557.db2.gz AITKMQCBWLWBMM-QGZVFWFLSA-N 1 0 303.450 2.806 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCC2(c3ccccc3)CCC2)CC1 ZINC000159571737 425963040 /nfs/dbraw/zinc/96/30/40/425963040.db2.gz ZIMZPOQTEDAXLI-UHFFFAOYSA-N 1 0 315.461 2.846 20 70 DFIDRO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c2c(c1)OCCCO2 ZINC000159586418 425963118 /nfs/dbraw/zinc/96/31/18/425963118.db2.gz HMNOHFVWYSRRKZ-QGTPRVQTSA-N 1 0 315.413 2.895 20 70 DFIDRO CC(C)[NH+]1CCN(C(=O)Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000159555262 425963300 /nfs/dbraw/zinc/96/33/00/425963300.db2.gz RKWSFKSEZCFXQC-UHFFFAOYSA-N 1 0 319.836 2.916 20 70 DFIDRO CC(C)(C)c1nsc(NC2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000159554474 425963305 /nfs/dbraw/zinc/96/33/05/425963305.db2.gz HAUGDBWQSWNMPU-GFCCVEGCSA-N 1 0 324.494 2.748 20 70 DFIDRO CC[C@@H](Oc1cccc(C)c1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159685443 425965234 /nfs/dbraw/zinc/96/52/34/425965234.db2.gz JMRZXRKMFQKLGV-MRXNPFEDSA-N 1 0 304.434 2.930 20 70 DFIDRO O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1C[C@@H]1c1cccnc1 ZINC000159679023 425965697 /nfs/dbraw/zinc/96/56/97/425965697.db2.gz TVTUXOYHPLJAIZ-IAGOWNOFSA-N 1 0 301.434 2.614 20 70 DFIDRO Cc1cncc(/C=C/C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000159703756 425965765 /nfs/dbraw/zinc/96/57/65/425965765.db2.gz WPONYATYMRRRKF-BBVFFXRHSA-N 1 0 309.413 2.822 20 70 DFIDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159764356 425967437 /nfs/dbraw/zinc/96/74/37/425967437.db2.gz XHXOXOZQGSKMQR-IRXDYDNUSA-N 1 0 324.509 2.897 20 70 DFIDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000159763862 425968232 /nfs/dbraw/zinc/96/82/32/425968232.db2.gz FDMTUDOGAIBLTQ-ROUUACIJSA-N 1 0 308.441 2.883 20 70 DFIDRO O=C(c1ccnc2ccccc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000159829230 425968764 /nfs/dbraw/zinc/96/87/64/425968764.db2.gz IKCSZDQURLVAHZ-UHFFFAOYSA-N 1 0 309.413 2.839 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)Cc2ccc(C)cc2C)CC1 ZINC000159837738 425969075 /nfs/dbraw/zinc/96/90/75/425969075.db2.gz HRTZZGGHDMMWKC-QGZVFWFLSA-N 1 0 317.477 2.972 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000159851304 425969253 /nfs/dbraw/zinc/96/92/53/425969253.db2.gz GIWFZKJRSMVHDX-YOEHRIQHSA-N 1 0 301.434 2.657 20 70 DFIDRO O=C(/C=C/c1ccc2ccccc2n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159930748 425969891 /nfs/dbraw/zinc/96/98/91/425969891.db2.gz QCWZYLMQQOHPIT-STCWAVISSA-N 1 0 307.397 2.601 20 70 DFIDRO CC[C@H](C)N(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159954583 425971353 /nfs/dbraw/zinc/97/13/53/425971353.db2.gz VBKDSDCRIPMLSI-YQQAZPJKSA-N 1 0 303.450 2.947 20 70 DFIDRO CCN1CCC[C@H]1C[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159966249 425971673 /nfs/dbraw/zinc/97/16/73/425971673.db2.gz PNUXNNSQYLPFAP-KRWDZBQOSA-N 1 0 323.525 2.687 20 70 DFIDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)c1cccnc1 ZINC000159965725 425971843 /nfs/dbraw/zinc/97/18/43/425971843.db2.gz XEMMBVGLRNKHJF-BJOOFOGMSA-N 1 0 313.376 2.843 20 70 DFIDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](CCO)CSC)cc1OC ZINC000160187478 425976197 /nfs/dbraw/zinc/97/61/97/425976197.db2.gz SFXUMBVWYUKSMZ-OLZOCXBDSA-N 1 0 313.463 2.777 20 70 DFIDRO Cc1nc(-c2ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)o2)cs1 ZINC000160187796 425976540 /nfs/dbraw/zinc/97/65/40/425976540.db2.gz YTGSTORPZAOTOT-OAHLLOKOSA-N 1 0 321.446 2.914 20 70 DFIDRO COc1ccccc1C/C(C)=C/C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160223251 425977696 /nfs/dbraw/zinc/97/76/96/425977696.db2.gz OYPQFBNXGQARIL-OUMJGCBFSA-N 1 0 314.429 2.537 20 70 DFIDRO [NH3+]C[C@H]1CCCN1C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000160258097 425977888 /nfs/dbraw/zinc/97/78/88/425977888.db2.gz WWSDCAXZFCORFV-OLZOCXBDSA-N 1 0 300.324 2.672 20 70 DFIDRO Cc1nc(CC[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cs1 ZINC000160263689 425978448 /nfs/dbraw/zinc/97/84/48/425978448.db2.gz DJIVOONQKWQGEL-LBPRGKRZSA-N 1 0 313.430 2.926 20 70 DFIDRO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160349428 425978748 /nfs/dbraw/zinc/97/87/48/425978748.db2.gz WLPLXZFEGZBXPH-AEGPPILISA-N 1 0 322.836 2.769 20 70 DFIDRO C[C@H](O)CC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160330908 425978983 /nfs/dbraw/zinc/97/89/83/425978983.db2.gz XUORSCDZGCPUQU-JTQLQIEISA-N 1 0 309.207 2.858 20 70 DFIDRO [NH3+][C@@H]1CCN(C(=O)c2cccc(OCc3cccs3)c2)C1 ZINC000160316188 425979840 /nfs/dbraw/zinc/97/98/40/425979840.db2.gz YOIQBQMOQWSDQB-CYBMUJFWSA-N 1 0 302.399 2.500 20 70 DFIDRO Cc1nc(CN(C)C(=O)c2ccc(C[NH+](C)C)cc2)cs1 ZINC000161434172 426023897 /nfs/dbraw/zinc/02/38/97/426023897.db2.gz JAEIHRZEXLAJEU-UHFFFAOYSA-N 1 0 303.431 2.785 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC000161505555 426026178 /nfs/dbraw/zinc/02/61/78/426026178.db2.gz KKQXVKFIFDEXNQ-RDHHWEPZSA-N 1 0 310.482 2.865 20 70 DFIDRO CCCn1nc(C)c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1C ZINC000161500204 426026919 /nfs/dbraw/zinc/02/69/19/426026919.db2.gz NRBIXDKDPHLMJD-CQSZACIVSA-N 1 0 320.481 2.904 20 70 DFIDRO COC(C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1)OC ZINC000161509200 426027744 /nfs/dbraw/zinc/02/77/44/426027744.db2.gz AUCIOUNQJFFMEH-IRXDYDNUSA-N 1 0 307.434 2.974 20 70 DFIDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1CCOC1 ZINC000161115790 426008565 /nfs/dbraw/zinc/00/85/65/426008565.db2.gz WSMNHUAQXCJMGO-RRFJBIMHSA-N 1 0 324.415 2.944 20 70 DFIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000161116291 426008686 /nfs/dbraw/zinc/00/86/86/426008686.db2.gz SSCRLRINGWJYJL-AWEZNQCLSA-N 1 0 318.808 2.679 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000161149414 426009555 /nfs/dbraw/zinc/00/95/55/426009555.db2.gz MVZUCRYLUCCAQB-LSDHHAIUSA-N 1 0 322.399 2.916 20 70 DFIDRO C[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)Oc1ccc(Cl)cc1 ZINC000161134937 426010492 /nfs/dbraw/zinc/01/04/92/426010492.db2.gz UZNVKFOBWNECKQ-BZPMIXESSA-N 1 0 310.825 2.741 20 70 DFIDRO O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000161189978 426012234 /nfs/dbraw/zinc/01/22/34/426012234.db2.gz SQHFXAWYRKSGIJ-CMPLNLGQSA-N 1 0 304.287 2.545 20 70 DFIDRO O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)C1CC[NH2+]CC1 ZINC000161188826 426012588 /nfs/dbraw/zinc/01/25/88/426012588.db2.gz VBFVANHBOLEOBL-LBPRGKRZSA-N 1 0 304.287 2.545 20 70 DFIDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000161230332 426013527 /nfs/dbraw/zinc/01/35/27/426013527.db2.gz QXKYNDLDWOXVEP-OAHLLOKOSA-N 1 0 319.424 2.942 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000161212122 426013661 /nfs/dbraw/zinc/01/36/61/426013661.db2.gz VJPBGVWLMVZHAM-ZBFHGGJFSA-N 1 0 318.461 2.962 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000161211992 426014135 /nfs/dbraw/zinc/01/41/35/426014135.db2.gz VJPBGVWLMVZHAM-HOCLYGCPSA-N 1 0 318.461 2.962 20 70 DFIDRO COCC(C)(C)C(=O)NC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000161256802 426015106 /nfs/dbraw/zinc/01/51/06/426015106.db2.gz BHKGRGPBXCYGDG-DOTOQJQBSA-N 1 0 318.461 2.686 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000161271642 426016052 /nfs/dbraw/zinc/01/60/52/426016052.db2.gz JQIVCKNYVSTCQR-UHFFFAOYSA-N 1 0 300.406 2.791 20 70 DFIDRO CCn1cnnc1[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000161262798 426016437 /nfs/dbraw/zinc/01/64/37/426016437.db2.gz IIGZQNRQLVFODG-LBPRGKRZSA-N 1 0 321.406 2.647 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)NCc1nc(-c2ccncc2)cs1 ZINC000161281854 426016881 /nfs/dbraw/zinc/01/68/81/426016881.db2.gz ORJRWLBNKXCXCZ-UHFFFAOYSA-N 1 0 318.446 2.586 20 70 DFIDRO Cc1c(C[NH2+]Cc2ccc(F)c(Br)c2)cnn1C ZINC000161305898 426018648 /nfs/dbraw/zinc/01/86/48/426018648.db2.gz MGSDNQAMQKBCPB-UHFFFAOYSA-N 1 0 312.186 2.920 20 70 DFIDRO Cc1nc(C[C@H]2CCCN(CCC[NH+]3CCCCC3)C2)no1 ZINC000161330822 426019923 /nfs/dbraw/zinc/01/99/23/426019923.db2.gz GPCSSWIWZKLDPB-MRXNPFEDSA-N 1 0 306.454 2.509 20 70 DFIDRO CCC[C@@H]([NH3+])C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000161375683 426021622 /nfs/dbraw/zinc/02/16/22/426021622.db2.gz DLJCNSWTSPDOJG-MRXNPFEDSA-N 1 0 320.433 2.866 20 70 DFIDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217851965 426566274 /nfs/dbraw/zinc/56/62/74/426566274.db2.gz PSNKGDGNYVLSNC-GFCCVEGCSA-N 1 0 322.243 2.792 20 70 DFIDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccn(C)n1 ZINC000218152573 426566585 /nfs/dbraw/zinc/56/65/85/426566585.db2.gz IUQKRZKWGXCOHV-NSHDSACASA-N 1 0 308.223 2.903 20 70 DFIDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCSC1 ZINC000159568353 274472437 /nfs/dbraw/zinc/47/24/37/274472437.db2.gz ZOZOXKDBFJXHGV-DGCLKSJQSA-N 1 0 323.418 2.797 20 70 DFIDRO Cc1ccc(C(=O)CC[NH2+][C@@](C)(C(N)=O)c2ccccc2)cc1 ZINC000160434797 274736748 /nfs/dbraw/zinc/73/67/48/274736748.db2.gz PDJWEWHLQOXXAF-LJQANCHMSA-N 1 0 310.397 2.558 20 70 DFIDRO Nc1nc(-n2cccn2)cc(N[C@@H]2CCCc3sccc32)[nH+]1 ZINC000161049436 274966450 /nfs/dbraw/zinc/96/64/50/274966450.db2.gz JOUCRRLRPZKCOP-LLVKDONJSA-N 1 0 312.402 2.796 20 70 DFIDRO CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCc3nc(C)nn3C1)CCC2 ZINC000160443842 276691634 /nfs/dbraw/zinc/69/16/34/276691634.db2.gz BOOFKMIJHYGRFX-NEPJUHHUSA-N 1 0 317.462 2.587 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC000159450701 277732226 /nfs/dbraw/zinc/73/22/26/277732226.db2.gz BXSGZCQVYWNJBU-CQDKDKBSSA-N 1 0 312.841 2.906 20 70 DFIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000159405447 295376381 /nfs/dbraw/zinc/37/63/81/295376381.db2.gz UECUXXVEPPTEEG-FUHWJXTLSA-N 1 0 312.498 2.944 20 70 DFIDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCCC1=O ZINC000159521650 295377749 /nfs/dbraw/zinc/37/77/49/295377749.db2.gz WZNHSTJTYMNUIN-CYBMUJFWSA-N 1 0 305.378 2.566 20 70 DFIDRO CCN(CC[NH2+][C@H]1CCCc2c1cnn2C)C(=O)OC(C)(C)C ZINC000159504684 295377770 /nfs/dbraw/zinc/37/77/70/295377770.db2.gz AFCASIGPJOCKMP-AWEZNQCLSA-N 1 0 322.453 2.644 20 70 DFIDRO C[S@@](=O)C[C@@H]([NH2+]Cc1cnc2ccccn12)c1ccccc1 ZINC000159592757 295378640 /nfs/dbraw/zinc/37/86/40/295378640.db2.gz WTYKIUFLYMEPDI-ZHRRBRCNSA-N 1 0 313.426 2.544 20 70 DFIDRO C[S@](=O)C[C@H]([NH2+]Cc1cnc2ccccn12)c1ccccc1 ZINC000159592629 295378676 /nfs/dbraw/zinc/37/86/76/295378676.db2.gz WTYKIUFLYMEPDI-KSFYIVLOSA-N 1 0 313.426 2.544 20 70 DFIDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000159738146 295381105 /nfs/dbraw/zinc/38/11/05/295381105.db2.gz XTBFBAYXVVHIRN-UHFFFAOYSA-N 1 0 315.373 2.667 20 70 DFIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1cccn1C ZINC000159833234 295382671 /nfs/dbraw/zinc/38/26/71/295382671.db2.gz FVPYVEKGKJICDU-MRXNPFEDSA-N 1 0 320.481 2.821 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N1CCCC[C@H]1C ZINC000159861557 295382822 /nfs/dbraw/zinc/38/28/22/295382822.db2.gz DXHCTCLCGRMZDG-CQSZACIVSA-N 1 0 309.479 2.797 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)C[C@@H](O)COC(C)(C)C ZINC000159865420 295383046 /nfs/dbraw/zinc/38/30/46/295383046.db2.gz CRXUNYRLWQVAPH-CYBMUJFWSA-N 1 0 300.468 2.572 20 70 DFIDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OC ZINC000160032326 295385496 /nfs/dbraw/zinc/38/54/96/295385496.db2.gz ACDUSWDEKGUPCZ-CVEARBPZSA-N 1 0 302.418 2.673 20 70 DFIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCOc1ccc(F)cc1F ZINC000160090569 295386342 /nfs/dbraw/zinc/38/63/42/295386342.db2.gz LOZCSNOJTZATEC-GFCCVEGCSA-N 1 0 314.376 2.580 20 70 DFIDRO CCc1cc(C)c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)o1 ZINC000160113088 295386376 /nfs/dbraw/zinc/38/63/76/295386376.db2.gz KDLKMTOIZBJBDG-UHFFFAOYSA-N 1 0 315.417 2.749 20 70 DFIDRO CSc1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1F ZINC000160107958 295386649 /nfs/dbraw/zinc/38/66/49/295386649.db2.gz MQLGMFGNJWEZED-UHFFFAOYSA-N 1 0 322.409 2.558 20 70 DFIDRO CCCCn1ncc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C ZINC000160188405 295387746 /nfs/dbraw/zinc/38/77/46/295387746.db2.gz XEAKJBSJAREBCC-BBRMVZONSA-N 1 0 321.469 2.842 20 70 DFIDRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160528063 295392553 /nfs/dbraw/zinc/39/25/53/295392553.db2.gz CQJHACJNMUDTCN-XPTSAGLGSA-N 1 0 318.314 2.717 20 70 DFIDRO CSc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1F ZINC000160552158 295392821 /nfs/dbraw/zinc/39/28/21/295392821.db2.gz UJLDXKUUSSAZCX-QMMMGPOBSA-N 1 0 324.343 2.877 20 70 DFIDRO COc1ccccc1CCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160564015 295392989 /nfs/dbraw/zinc/39/29/89/295392989.db2.gz BYQRNLOAWUBMGF-QGZVFWFLSA-N 1 0 318.461 2.864 20 70 DFIDRO Cn1nccc1C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000160648922 295394158 /nfs/dbraw/zinc/39/41/58/295394158.db2.gz PTEBGCLILTZRKR-UHFFFAOYSA-N 1 0 321.428 2.985 20 70 DFIDRO CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H](C)CC)CC[N@@H+]1CCOC ZINC000160931354 295396726 /nfs/dbraw/zinc/39/67/26/295396726.db2.gz JCZINIVXWOATGB-HRCADAONSA-N 1 0 313.486 2.563 20 70 DFIDRO CCCn1cc(C[N@H+](CC)C[C@@H]2COc3ccccc3O2)cn1 ZINC000160953052 295396791 /nfs/dbraw/zinc/39/67/91/295396791.db2.gz DSXWNAUPLDPVHK-MRXNPFEDSA-N 1 0 315.417 2.955 20 70 DFIDRO CC(C)C[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000161022861 295397656 /nfs/dbraw/zinc/39/76/56/295397656.db2.gz YOHSPWOBLQFLMS-MSOLQXFVSA-N 1 0 318.461 2.564 20 70 DFIDRO O[C@H](C1CC[NH+](CCOc2cccc(F)c2)CC1)C(F)(F)F ZINC000161359769 295402095 /nfs/dbraw/zinc/40/20/95/295402095.db2.gz BBJYWIAMRLNKLO-CQSZACIVSA-N 1 0 321.314 2.840 20 70 DFIDRO C[NH+]=C(NC[C@H]1CCc2ccccc21)N(C)Cc1cccn1C ZINC000160855048 334880488 /nfs/dbraw/zinc/88/04/88/334880488.db2.gz HWXPSEQIULVAST-MRXNPFEDSA-N 1 0 310.445 2.762 20 70 DFIDRO CN(CC[NH+]1CCCC1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000160693239 338562361 /nfs/dbraw/zinc/56/23/61/338562361.db2.gz FJAVUYWLFOYLLG-KRWDZBQOSA-N 1 0 314.433 2.769 20 70 DFIDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000159425214 519695951 /nfs/dbraw/zinc/69/59/51/519695951.db2.gz APZBZQPCBXFQLV-PBHICJAKSA-N 1 0 317.437 2.500 20 70 DFIDRO CCOCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160397874 519903754 /nfs/dbraw/zinc/90/37/54/519903754.db2.gz NIJLDFGHJOQPNR-YIONKMFJSA-N 1 0 312.454 2.885 20 70 DFIDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160359287 520286649 /nfs/dbraw/zinc/28/66/49/520286649.db2.gz PZPWVGOPLORERI-CZUORRHYSA-N 1 0 313.449 2.708 20 70 DFIDRO CC[N@H+](CC(=O)N1CC=C(c2ccccc2F)CC1)C1CC1 ZINC000160316494 520307032 /nfs/dbraw/zinc/30/70/32/520307032.db2.gz MPSKZDPUEKUFKX-UHFFFAOYSA-N 1 0 302.393 2.926 20 70 DFIDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1c(Cl)cccc1OC ZINC000160484004 521628212 /nfs/dbraw/zinc/62/82/12/521628212.db2.gz BDVXOMDCCCJSOL-CYBMUJFWSA-N 1 0 324.852 2.834 20 70 DFIDRO COc1cc(O)c(C[N@@H+]2CCOC[C@H]2CC(C)C)cc1OC ZINC000160198372 522777995 /nfs/dbraw/zinc/77/79/95/522777995.db2.gz GIEHJWLNLKOYBC-CQSZACIVSA-N 1 0 309.406 2.656 20 70 DFIDRO C[C@H](CCc1ccccc1F)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160617027 524249481 /nfs/dbraw/zinc/24/94/81/524249481.db2.gz MZCKXOAYESITRG-BMFZPTHFSA-N 1 0 304.409 2.747 20 70 DFIDRO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)C[NH+]1CCCC1 ZINC000161072993 524453796 /nfs/dbraw/zinc/45/37/96/524453796.db2.gz WXOZHDWISPWFFH-XPKDYRNWSA-N 1 0 322.399 2.916 20 70 DFIDRO COc1ccccc1C[C@@H]([NH2+][C@H](CCO)CSC)C(C)C ZINC000160396446 524504673 /nfs/dbraw/zinc/50/46/73/524504673.db2.gz RRUKWRXPEDRFDM-HZPDHXFCSA-N 1 0 311.491 2.966 20 70 DFIDRO C[C@@H]1CCO[C@H]1C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000159580662 524541853 /nfs/dbraw/zinc/54/18/53/524541853.db2.gz RMAQSBJTSUOHCA-XPJGSDBHSA-N 1 0 322.493 2.913 20 70 DFIDRO C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCOC1 ZINC000159969418 525431242 /nfs/dbraw/zinc/43/12/42/525431242.db2.gz UQUAGKUYJROMTR-TZMCWYRMSA-N 1 0 308.388 2.665 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)CC2 ZINC000160425911 282117562 /nfs/dbraw/zinc/11/75/62/282117562.db2.gz LQVIUMHLGLIBPK-KWQFWETISA-N 1 0 310.323 2.669 20 70 DFIDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000159532795 186125791 /nfs/dbraw/zinc/12/57/91/186125791.db2.gz QCZBAVKEDFCJDY-ZIFCJYIRSA-N 1 0 316.445 2.579 20 70 DFIDRO Cc1cccc(C[C@H]([NH2+]CCCN2CCCC2=O)C2CC2)c1 ZINC000159574195 186128421 /nfs/dbraw/zinc/12/84/21/186128421.db2.gz JPGARAOTWZUWGF-SFHVURJKSA-N 1 0 300.446 2.918 20 70 DFIDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159582206 186129098 /nfs/dbraw/zinc/12/90/98/186129098.db2.gz WIGNMNOXPWUEAV-CMPLNLGQSA-N 1 0 317.451 2.775 20 70 DFIDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(OC)c1 ZINC000159655959 186133310 /nfs/dbraw/zinc/13/33/10/186133310.db2.gz IQTXQCLJOSGGPD-UAGQMJEPSA-N 1 0 303.402 2.751 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cc(F)ccc2OC)CC1 ZINC000159670634 186134138 /nfs/dbraw/zinc/13/41/38/186134138.db2.gz QJVQPVKLISNNBR-CYBMUJFWSA-N 1 0 323.412 2.633 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)NCC1(Sc2ccccc2)CC1 ZINC000159705058 186136621 /nfs/dbraw/zinc/13/66/21/186136621.db2.gz PDXQXFGREGYGTE-ZDUSSCGKSA-N 1 0 310.488 2.508 20 70 DFIDRO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159731741 186137946 /nfs/dbraw/zinc/13/79/46/186137946.db2.gz LRHBHTHNFMVUIL-QGZVFWFLSA-N 1 0 322.412 2.623 20 70 DFIDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCCCO1 ZINC000160875446 295834943 /nfs/dbraw/zinc/83/49/43/295834943.db2.gz FXWWRWVNAQNGRP-SJORKVTESA-N 1 0 302.418 2.509 20 70 DFIDRO [NH3+]C[C@@H]1CCCN1C(=O)CSc1ccc2ccccc2c1 ZINC000160196029 283380048 /nfs/dbraw/zinc/38/00/48/283380048.db2.gz AEZCKRIQBAADSN-HNNXBMFYSA-N 1 0 300.427 2.882 20 70 DFIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1coc(-c2ccccc2)n1 ZINC000159496008 398964959 /nfs/dbraw/zinc/96/49/59/398964959.db2.gz IOQJJDOXDNREDF-OAHLLOKOSA-N 1 0 311.385 2.556 20 70 DFIDRO COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159666400 398966591 /nfs/dbraw/zinc/96/65/91/398966591.db2.gz KGPFEPAYOOAFLC-RDJZCZTQSA-N 1 0 302.418 2.576 20 70 DFIDRO COC(C)(C)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000160254646 398969258 /nfs/dbraw/zinc/96/92/58/398969258.db2.gz YZSOPRJFQPQOPF-JTQLQIEISA-N 1 0 322.232 2.748 20 70 DFIDRO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000160543115 398971288 /nfs/dbraw/zinc/97/12/88/398971288.db2.gz NBDZAILSKVQBPB-STQMWFEESA-N 1 0 306.454 2.919 20 70 DFIDRO C[C@]1(CNC(=O)CC[C@H]([NH3+])c2ccccc2)CCCC[C@H]1O ZINC000160839229 398973596 /nfs/dbraw/zinc/97/35/96/398973596.db2.gz XYGRHOHBZDPICC-LZLYRXPVSA-N 1 0 304.434 2.524 20 70 DFIDRO CCC[N@H+](CCCCS(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000161458585 398976904 /nfs/dbraw/zinc/97/69/04/398976904.db2.gz APARDPZTEPERAQ-UHFFFAOYSA-N 1 0 308.447 2.595 20 70 DFIDRO CO[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000161409032 197492333 /nfs/dbraw/zinc/49/23/33/197492333.db2.gz UPDLQFYPQLXJKO-VHDGCEQUSA-N 1 0 310.825 2.661 20 70 DFIDRO CCN(CC)[C@H](C[NH2+]C1CCC(NC(C)=O)CC1)c1ccco1 ZINC000161381179 197490982 /nfs/dbraw/zinc/49/09/82/197490982.db2.gz DGTLGKHPODLNRG-OFLPRAFFSA-N 1 0 321.465 2.699 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(OCC(C)C)c(OC)c1 ZINC000161246154 197478536 /nfs/dbraw/zinc/47/85/36/197478536.db2.gz HWCYLOHHIAAFAR-HNNXBMFYSA-N 1 0 320.433 2.554 20 70 DFIDRO C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(=O)NCc1ccccc1 ZINC000161210953 197475214 /nfs/dbraw/zinc/47/52/14/197475214.db2.gz BMFPLUPDQIXJNP-HIFRSBDPSA-N 1 0 304.434 2.627 20 70 DFIDRO CCN(CC[NH2+]C1CCC(NC(C)=O)CC1)c1cccc(C)c1 ZINC000161208367 197474650 /nfs/dbraw/zinc/47/46/50/197474650.db2.gz DHOKASKGIYBBDZ-UHFFFAOYSA-N 1 0 317.477 2.858 20 70 DFIDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1cncc(F)c1 ZINC000161208227 197473894 /nfs/dbraw/zinc/47/38/94/197473894.db2.gz STCZMVCWWOQMTG-OLZOCXBDSA-N 1 0 301.365 2.576 20 70 DFIDRO COc1ccc(CNC(=O)C[NH2+]C2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000160994833 197455818 /nfs/dbraw/zinc/45/58/18/197455818.db2.gz GRPCDNXZWYPWHP-KBPBESRZSA-N 1 0 304.434 2.726 20 70 DFIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000160242436 197395190 /nfs/dbraw/zinc/39/51/90/197395190.db2.gz GHZFQGIJLIWZBO-CABCVRRESA-N 1 0 304.459 2.903 20 70 DFIDRO CCN(Cc1ccccc1)c1ccc(C(=O)NCCC[NH3+])cc1 ZINC000160146728 197389176 /nfs/dbraw/zinc/38/91/76/197389176.db2.gz ODOLNOXQPLUMNG-UHFFFAOYSA-N 1 0 311.429 2.792 20 70 DFIDRO CCn1cc([C@@H](C)[NH2+]CCN(C)Cc2ccc(F)cc2)cn1 ZINC000160128633 197387865 /nfs/dbraw/zinc/38/78/65/197387865.db2.gz JXJZIKDBXMLENZ-CQSZACIVSA-N 1 0 304.413 2.825 20 70 DFIDRO CC(C)([NH3+])CNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000160118524 197387284 /nfs/dbraw/zinc/38/72/84/197387284.db2.gz RBOZNWWGSDTCPA-UHFFFAOYSA-N 1 0 300.324 2.591 20 70 DFIDRO CCCCNC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000160101627 197385869 /nfs/dbraw/zinc/38/58/69/197385869.db2.gz PGPJYIJSKXPIKP-PBHICJAKSA-N 1 0 304.434 2.731 20 70 DFIDRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000159986017 197378088 /nfs/dbraw/zinc/37/80/88/197378088.db2.gz ZGXKZQSYNNGWIW-IAGOWNOFSA-N 1 0 304.434 2.755 20 70 DFIDRO CC[NH+](CC)CC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000159958115 197376209 /nfs/dbraw/zinc/37/62/09/197376209.db2.gz OSTLSHHPQGEECG-IBGZPJMESA-N 1 0 311.429 2.937 20 70 DFIDRO CC(C)([NH3+])CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000159941814 197375070 /nfs/dbraw/zinc/37/50/70/197375070.db2.gz MPVTYVLEFXZVQD-GHMZBOCLSA-N 1 0 301.217 2.950 20 70 DFIDRO NC(=O)CC1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000159838752 197368445 /nfs/dbraw/zinc/36/84/45/197368445.db2.gz SIGNFFOOGQINBA-UHFFFAOYSA-N 1 0 319.424 2.513 20 70 DFIDRO [NH3+]C1(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CCCCC1 ZINC000159768149 197362640 /nfs/dbraw/zinc/36/26/40/197362640.db2.gz WEGZBAIDMKKAFA-QWHCGFSZSA-N 1 0 308.372 2.846 20 70 DFIDRO CC[C@H]([NH2+]CCCN1CCCC1=O)c1ccc2c(c1)CCO2 ZINC000159515432 197360252 /nfs/dbraw/zinc/36/02/52/197360252.db2.gz YXCUSZCDLXDUNM-INIZCTEOSA-N 1 0 302.418 2.675 20 70 DFIDRO COc1cccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1OC ZINC000159511029 197359761 /nfs/dbraw/zinc/35/97/61/197359761.db2.gz ZGRAKBHGNLHHRN-COXVUDFISA-N 1 0 303.402 2.751 20 70 DFIDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3oc(C)nc3c2)C1 ZINC000159462871 197354904 /nfs/dbraw/zinc/35/49/04/197354904.db2.gz SUIZASKGWXVSEA-CYBMUJFWSA-N 1 0 316.405 2.942 20 70 DFIDRO C[N@@H+](CC(=O)Nc1ccc2ccccc2c1)C[C@@H]1CCC[C@@H]1O ZINC000159451494 197354123 /nfs/dbraw/zinc/35/41/23/197354123.db2.gz ZBMQFGDXTFUOAV-WMZOPIPTSA-N 1 0 312.413 2.871 20 70 DFIDRO COCCc1ccc(Oc2ccc(NC(=O)[C@H](C)[NH3+])cc2)cc1 ZINC000159439722 197353641 /nfs/dbraw/zinc/35/36/41/197353641.db2.gz QWRZDNRCKPSKKW-ZDUSSCGKSA-N 1 0 314.385 2.954 20 70 DFIDRO Cc1cc(C#N)ccc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000159479770 197356783 /nfs/dbraw/zinc/35/67/83/197356783.db2.gz OTIFWIPODDCKHG-HNNXBMFYSA-N 1 0 313.426 2.961 20 70 DFIDRO O=C(Nc1ccc(OCC2CCOCC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000159412411 197351187 /nfs/dbraw/zinc/35/11/87/197351187.db2.gz GLTYCFDVGNVCJB-QGZVFWFLSA-N 1 0 318.417 2.573 20 70 DFIDRO COCCN(C)CC[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000159367535 197348247 /nfs/dbraw/zinc/34/82/47/197348247.db2.gz DZBRWICCKLMTCN-ZIAGYGMSSA-N 1 0 321.490 2.956 20 70 DFIDRO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](CCCO)CC(C)(C)C ZINC000217138912 296351704 /nfs/dbraw/zinc/35/17/04/296351704.db2.gz PPRUEWSULOQVLR-HZPDHXFCSA-N 1 0 312.498 2.754 20 70 DFIDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cn1 ZINC000159983149 542719875 /nfs/dbraw/zinc/71/98/75/542719875.db2.gz BJDLVZVTGXGBDQ-KRWDZBQOSA-N 1 0 310.445 2.764 20 70 DFIDRO CSc1cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1F ZINC000160297532 542721827 /nfs/dbraw/zinc/72/18/27/542721827.db2.gz WUAHDMNQTRTJIL-UHFFFAOYSA-N 1 0 322.409 2.558 20 70 DFIDRO CC(C)OCC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000160196375 542722151 /nfs/dbraw/zinc/72/21/51/542722151.db2.gz UAOWHAXKSRVWEZ-GFCCVEGCSA-N 1 0 322.232 2.748 20 70 DFIDRO COc1ccccc1C[C@H](C)CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161260025 542727785 /nfs/dbraw/zinc/72/77/85/542727785.db2.gz CSBAEBQKZCDCSB-CWRNSKLLSA-N 1 0 304.434 2.650 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(Br)c(F)c2)C1 ZINC000161317889 542728414 /nfs/dbraw/zinc/72/84/14/542728414.db2.gz NFBQQPGOYKVFEN-ZJUUUORDSA-N 1 0 315.186 2.588 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000161337744 542728583 /nfs/dbraw/zinc/72/85/83/542728583.db2.gz BOZRKKNNSNIENZ-NEPJUHHUSA-N 1 0 300.324 2.634 20 70 DFIDRO C[N@H+](CCCCS(C)(=O)=O)Cc1ccccc1C(F)(F)F ZINC000161331633 542728972 /nfs/dbraw/zinc/72/89/72/542728972.db2.gz SNMYNGNCTYUPLX-UHFFFAOYSA-N 1 0 323.380 2.962 20 70 DFIDRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161438354 542729303 /nfs/dbraw/zinc/72/93/03/542729303.db2.gz KNQJRPCKHDOZQE-RYUDHWBXSA-N 1 0 319.430 2.640 20 70 DFIDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)c2ccncc2)[C@H](C)C1 ZINC000160789399 542724319 /nfs/dbraw/zinc/72/43/19/542724319.db2.gz UIKVKCXOVCHJJL-INMHGKMJSA-N 1 0 303.450 2.764 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000160776008 542724566 /nfs/dbraw/zinc/72/45/66/542724566.db2.gz FIFAIEICSMQNDJ-HUUCEWRRSA-N 1 0 313.401 2.660 20 70 DFIDRO CCN1CCO[C@@H](C[NH2+]Cc2c(Cl)oc3ccccc32)C1 ZINC000161016977 542725963 /nfs/dbraw/zinc/72/59/63/542725963.db2.gz SUBMEDFAVSJMPR-LBPRGKRZSA-N 1 0 308.809 2.897 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000161019662 542726091 /nfs/dbraw/zinc/72/60/91/542726091.db2.gz OFUSJHSPZPQVRR-KBPBESRZSA-N 1 0 301.365 2.821 20 70 DFIDRO CC[NH+](CC)CCCNC(=O)NCCc1ccc(Cl)cc1 ZINC000217308560 542877141 /nfs/dbraw/zinc/87/71/41/542877141.db2.gz CLHMBKZGXOHOQR-UHFFFAOYSA-N 1 0 311.857 2.914 20 70 DFIDRO O[C@H](C[NH2+]Cc1ccc(Br)c(F)c1)C(F)(F)F ZINC000217831891 542878162 /nfs/dbraw/zinc/87/81/62/542878162.db2.gz XSOAPKGJQQJKSA-SECBINFHSA-N 1 0 316.092 2.601 20 70 DFIDRO O=C(CSc1ccccc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159566716 145220193 /nfs/dbraw/zinc/22/01/93/145220193.db2.gz BKHABFRIGWDMAT-TXEJJXNPSA-N 1 0 310.850 2.785 20 70 DFIDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)C(C)(C)C ZINC000160432276 145220938 /nfs/dbraw/zinc/22/09/38/145220938.db2.gz WAMPQKDLSXFTOH-AWEZNQCLSA-N 1 0 324.490 2.995 20 70 DFIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000161061934 267543355 /nfs/dbraw/zinc/54/33/55/267543355.db2.gz WFEBLLZMBLGDBH-CKEIUWERSA-N 1 0 304.434 2.730 20 70 DFIDRO CCn1ccnc1C[NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000217807097 268139771 /nfs/dbraw/zinc/13/97/71/268139771.db2.gz YIXSNDUJTSMGDB-CQSZACIVSA-N 1 0 322.453 2.782 20 70 DFIDRO CCN(CCC[NH2+]Cc1nccn1CC)C(=O)OC(C)(C)C ZINC000217799566 268139960 /nfs/dbraw/zinc/13/99/60/268139960.db2.gz GBHKDQPDSFNCPO-UHFFFAOYSA-N 1 0 310.442 2.640 20 70 DFIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCCOc1cccc2ccccc21 ZINC000160379039 425980664 /nfs/dbraw/zinc/98/06/64/425980664.db2.gz PJMNSMXXGLXCBC-INIZCTEOSA-N 1 0 312.413 2.949 20 70 DFIDRO CC1=C(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCCO1 ZINC000160403472 425981965 /nfs/dbraw/zinc/98/19/65/425981965.db2.gz NKFCGXJMKAASFO-UHFFFAOYSA-N 1 0 302.418 2.709 20 70 DFIDRO Cc1ccc([C@@H](CNC(=O)NC2(C)CCC2)[NH+]2CCCC2)o1 ZINC000160449638 425982935 /nfs/dbraw/zinc/98/29/35/425982935.db2.gz KVMDFEALBPAWTD-CQSZACIVSA-N 1 0 305.422 2.967 20 70 DFIDRO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000160447381 425983118 /nfs/dbraw/zinc/98/31/18/425983118.db2.gz ILJVXXSACTXSOF-AWEZNQCLSA-N 1 0 303.381 2.683 20 70 DFIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(N(C)C)cc1 ZINC000160442621 425983269 /nfs/dbraw/zinc/98/32/69/425983269.db2.gz YGWAFFIVAKHVEC-WBVHZDCISA-N 1 0 313.449 2.708 20 70 DFIDRO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000160471668 425983864 /nfs/dbraw/zinc/98/38/64/425983864.db2.gz SINYMZYDHFXZSX-ZDUSSCGKSA-N 1 0 309.406 2.760 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cnc3ccsc3c1)CC2 ZINC000160507664 425985015 /nfs/dbraw/zinc/98/50/15/425985015.db2.gz ZLTPDOWZBRPDQL-GWCFXTLKSA-N 1 0 313.430 2.862 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000160504181 425985236 /nfs/dbraw/zinc/98/52/36/425985236.db2.gz RUVOHZXHOXUWFM-MJBXVCDLSA-N 1 0 313.228 2.917 20 70 DFIDRO CC1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000160551179 425986012 /nfs/dbraw/zinc/98/60/12/425986012.db2.gz YXNDRQZHAUQKBK-LSDHHAIUSA-N 1 0 322.399 2.916 20 70 DFIDRO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(N2CCCCCC2)nc1 ZINC000160534949 425986025 /nfs/dbraw/zinc/98/60/25/425986025.db2.gz VMMZMWVDKJNQCU-AEFFLSMTSA-N 1 0 316.493 2.892 20 70 DFIDRO C[C@H]1CCc2c(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)csc2C1 ZINC000160572360 425987263 /nfs/dbraw/zinc/98/72/63/425987263.db2.gz NOEDAWWXNOWVHZ-RWMBFGLXSA-N 1 0 304.459 2.839 20 70 DFIDRO O=C(NCC[NH+]1CCCCC1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000160569655 425987425 /nfs/dbraw/zinc/98/74/25/425987425.db2.gz HWDAYGUKLFTVBE-ZFWWWQNUSA-N 1 0 308.372 2.670 20 70 DFIDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160554572 425987927 /nfs/dbraw/zinc/98/79/27/425987927.db2.gz DKYKXHQJLWACMU-SWLSCSKDSA-N 1 0 300.406 2.651 20 70 DFIDRO CC(C)(O)C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000160597328 425989211 /nfs/dbraw/zinc/98/92/11/425989211.db2.gz JSGSSUIATQMFFC-LBPRGKRZSA-N 1 0 302.187 2.936 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](OC2CCCC2)c2ccccc2)C1 ZINC000160626671 425990274 /nfs/dbraw/zinc/99/02/74/425990274.db2.gz LCHFANWAFOSBOT-RDJZCZTQSA-N 1 0 302.418 2.507 20 70 DFIDRO C[NH2+]C[C@@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000160692525 425992172 /nfs/dbraw/zinc/99/21/72/425992172.db2.gz AOWCVJZEIILRJP-LDYMZIIASA-N 1 0 308.731 2.915 20 70 DFIDRO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CC(=O)Nc2ccccc21 ZINC000160731778 425994337 /nfs/dbraw/zinc/99/43/37/425994337.db2.gz BYQUFDXOCJQFPP-IUODEOHRSA-N 1 0 310.401 2.513 20 70 DFIDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(N(C)C)cc1F ZINC000160755476 425994484 /nfs/dbraw/zinc/99/44/84/425994484.db2.gz JVBPEDHGFYXBLV-UONOGXRCSA-N 1 0 321.440 2.742 20 70 DFIDRO Cc1nc2ccccn2c1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000160796433 425996201 /nfs/dbraw/zinc/99/62/01/425996201.db2.gz IWLGXJZTEWVVMD-KRWDZBQOSA-N 1 0 312.461 2.951 20 70 DFIDRO C[C@@]1(CNc2cnc(C#N)cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000160807677 425996274 /nfs/dbraw/zinc/99/62/74/425996274.db2.gz FAFWDMOUUSKFHD-SFHVURJKSA-N 1 0 307.401 2.815 20 70 DFIDRO C[C@@H]1CCC[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)C1 ZINC000160789813 425996963 /nfs/dbraw/zinc/99/69/63/425996963.db2.gz IEXBMLBRBCAYTL-CABCVRRESA-N 1 0 316.449 2.598 20 70 DFIDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCCCO1 ZINC000160875831 425998657 /nfs/dbraw/zinc/99/86/57/425998657.db2.gz FXWWRWVNAQNGRP-DLBZAZTESA-N 1 0 302.418 2.509 20 70 DFIDRO Cc1nc(Cl)ccc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000160874094 425998751 /nfs/dbraw/zinc/99/87/51/425998751.db2.gz VSFKGFQIYUFHCC-UHFFFAOYSA-N 1 0 304.781 2.752 20 70 DFIDRO CC[N@@H+]1CC[C@@H](N(C)Cc2noc(-c3ccsc3)n2)[C@H](C)C1 ZINC000160902209 425999825 /nfs/dbraw/zinc/99/98/25/425999825.db2.gz RCBOGSJGMHOOOC-TZMCWYRMSA-N 1 0 320.462 2.960 20 70 DFIDRO COC(C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1)OC ZINC000160881707 425999909 /nfs/dbraw/zinc/99/99/09/425999909.db2.gz QNFAGYKLQDNRKJ-UHFFFAOYSA-N 1 0 305.418 2.985 20 70 DFIDRO CCCCS(=O)(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160967085 426003046 /nfs/dbraw/zinc/00/30/46/426003046.db2.gz VBZMTPFXTOXVRX-UHFFFAOYSA-N 1 0 316.511 2.749 20 70 DFIDRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1ccc(F)cc1F ZINC000160999065 426004351 /nfs/dbraw/zinc/00/43/51/426004351.db2.gz PNWAXVVWBBNOAT-ABAIWWIYSA-N 1 0 309.360 2.766 20 70 DFIDRO COc1ccc(CNC(=O)C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)cc1 ZINC000160975301 426004375 /nfs/dbraw/zinc/00/43/75/426004375.db2.gz FIWMCZKHLNCFAZ-XOBRGWDASA-N 1 0 324.424 2.835 20 70 DFIDRO Cc1cc(F)ccc1-c1ccc(C(=O)N2CC[NH2+]CC2)cc1F ZINC000159391634 425959033 /nfs/dbraw/zinc/95/90/33/425959033.db2.gz RHUVXKFKKCFHRW-UHFFFAOYSA-N 1 0 316.351 2.986 20 70 DFIDRO Cc1ccccc1OCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159522231 425961582 /nfs/dbraw/zinc/96/15/82/425961582.db2.gz JDXVRQHTGRAPCT-IYBDPMFKSA-N 1 0 302.418 2.507 20 70 DFIDRO [NH3+]C1(CNC(=O)c2ccc(OCC3CC3)cc2)CCCCC1 ZINC000159554129 425962928 /nfs/dbraw/zinc/96/29/28/425962928.db2.gz MMUDMQBMCXTNEO-UHFFFAOYSA-N 1 0 302.418 2.867 20 70 DFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000159577450 425963142 /nfs/dbraw/zinc/96/31/42/425963142.db2.gz KZTFYBFOOSWOGR-KDOFPFPSSA-N 1 0 309.413 2.834 20 70 DFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000159624578 425964099 /nfs/dbraw/zinc/96/40/99/425964099.db2.gz VDLOMKIENIERQO-QWRGUYRKSA-N 1 0 321.471 2.957 20 70 DFIDRO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159616179 425964554 /nfs/dbraw/zinc/96/45/54/425964554.db2.gz SYSZCIUPEHPDCT-SKDRFNHKSA-N 1 0 322.796 2.695 20 70 DFIDRO CCC[C@@H](C(=O)NC1CC[NH+](Cc2ccsc2)CC1)[NH+](C)C ZINC000159659206 425965123 /nfs/dbraw/zinc/96/51/23/425965123.db2.gz CTFOHLYGIMSICM-INIZCTEOSA-N 1 0 323.506 2.559 20 70 DFIDRO CC(C)(C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CCCC1 ZINC000159694397 425965157 /nfs/dbraw/zinc/96/51/57/425965157.db2.gz BZFIQYZWSBXOSX-UHFFFAOYSA-N 1 0 322.493 2.774 20 70 DFIDRO C[C@H]1SCCN(C(=O)C[NH2+]CC2CC2)[C@@H]1c1ccccc1 ZINC000159681290 425965321 /nfs/dbraw/zinc/96/53/21/425965321.db2.gz DITKWHCSJZHCSC-DYVFJYSZSA-N 1 0 304.459 2.691 20 70 DFIDRO COc1cccc([C@H](C)C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159758998 425966165 /nfs/dbraw/zinc/96/61/65/425966165.db2.gz QNYFVSGPEJCTAZ-AWEZNQCLSA-N 1 0 316.445 2.789 20 70 DFIDRO O=C(NC1CC[NH+](CCOCC2CC2)CC1)C1CCCCC1 ZINC000159744171 425966447 /nfs/dbraw/zinc/96/64/47/425966447.db2.gz KPJLKWADCCUSFK-UHFFFAOYSA-N 1 0 308.466 2.574 20 70 DFIDRO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1(c2cccc(Cl)c2)CC1 ZINC000159762617 425966607 /nfs/dbraw/zinc/96/66/07/425966607.db2.gz MRUYEVKUFQKABN-GASCZTMLSA-N 1 0 304.821 2.725 20 70 DFIDRO Cc1ccccc1OCCCC(=O)NCC1([NH3+])CCCCC1 ZINC000159754184 425966744 /nfs/dbraw/zinc/96/67/44/425966744.db2.gz VUCXNXGJGVEIOT-UHFFFAOYSA-N 1 0 304.434 2.932 20 70 DFIDRO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)ccc1Br ZINC000159772408 425967544 /nfs/dbraw/zinc/96/75/44/425967544.db2.gz IYGZAEDOWRJPCO-ZDUSSCGKSA-N 1 0 311.223 2.567 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159813639 425967762 /nfs/dbraw/zinc/96/77/62/425967762.db2.gz ZRISCUMWSSEOQJ-TZMCWYRMSA-N 1 0 312.866 2.736 20 70 DFIDRO CC(C)[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000159795011 425967913 /nfs/dbraw/zinc/96/79/13/425967913.db2.gz WGPUBUADAOGMHN-HNNXBMFYSA-N 1 0 324.490 2.995 20 70 DFIDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(Br)c2)C1 ZINC000159815129 425968225 /nfs/dbraw/zinc/96/82/25/425968225.db2.gz YCZZNFLWZWRVDW-QMTHXVAHSA-N 1 0 311.223 2.721 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Cc2cccs2)CC1 ZINC000159909103 425970892 /nfs/dbraw/zinc/97/08/92/425970892.db2.gz WKAICLMQJYFKTI-AWEZNQCLSA-N 1 0 309.479 2.664 20 70 DFIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CCC[NH2+]2)C12CCCCC2 ZINC000161022316 426005342 /nfs/dbraw/zinc/00/53/42/426005342.db2.gz MYMMACDOCJDOFC-ARFHVFGLSA-N 1 0 308.466 2.715 20 70 DFIDRO CCN(C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000160012022 425972471 /nfs/dbraw/zinc/97/24/71/425972471.db2.gz XRRCLXOFEWLPDC-WMLDXEAASA-N 1 0 301.434 2.701 20 70 DFIDRO Cc1ccc(-c2nc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cs2)o1 ZINC000160024396 425972614 /nfs/dbraw/zinc/97/26/14/425972614.db2.gz MBDFIGVKWCIMQW-TXEJJXNPSA-N 1 0 317.414 2.678 20 70 DFIDRO Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCCC[NH3+])c1 ZINC000159998921 425972660 /nfs/dbraw/zinc/97/26/60/425972660.db2.gz WZJKRAQKKXHXRG-UHFFFAOYSA-N 1 0 310.397 2.613 20 70 DFIDRO COC[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)C1CC1 ZINC000160046558 425973108 /nfs/dbraw/zinc/97/31/08/425973108.db2.gz ZCAYQZRRMQZASF-CQSZACIVSA-N 1 0 308.388 2.665 20 70 DFIDRO CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000160030522 425973191 /nfs/dbraw/zinc/97/31/91/425973191.db2.gz ATYXEWSALCXWEA-GASCZTMLSA-N 1 0 306.837 2.971 20 70 DFIDRO CCC[N@@H+]1CCCN(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000160012379 425973443 /nfs/dbraw/zinc/97/34/43/425973443.db2.gz CMHVIKFRUQYPGV-UHFFFAOYSA-N 1 0 307.413 2.761 20 70 DFIDRO CC[C@@H](C)c1ccccc1OCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160057849 425974464 /nfs/dbraw/zinc/97/44/64/425974464.db2.gz YTZFCQHJQPYPSP-OAGGEKHMSA-N 1 0 316.445 2.932 20 70 DFIDRO COc1cc(C)c([C@@H](C)[NH2+][C@H](CCO)CSC)cc1OC ZINC000160187740 425976052 /nfs/dbraw/zinc/97/60/52/425976052.db2.gz SFXUMBVWYUKSMZ-CHWSQXEVSA-N 1 0 313.463 2.777 20 70 DFIDRO COCC[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160185848 425976802 /nfs/dbraw/zinc/97/68/02/425976802.db2.gz YQGZDYZSZVUZKX-UKRRQHHQSA-N 1 0 305.397 2.681 20 70 DFIDRO CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H]1c1cccc(C)n1 ZINC000160254318 425977718 /nfs/dbraw/zinc/97/77/18/425977718.db2.gz FOFYVVXDIMPVBB-WMLDXEAASA-N 1 0 314.433 2.535 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)NCC[NH+]2CCCCC2)n1 ZINC000160228252 425978426 /nfs/dbraw/zinc/97/84/26/425978426.db2.gz XSNNSNDERDOJSX-UHFFFAOYSA-N 1 0 307.442 2.537 20 70 DFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000160312684 425979297 /nfs/dbraw/zinc/97/92/97/425979297.db2.gz VTAHDYDAICEZFV-LBPRGKRZSA-N 1 0 305.765 2.558 20 70 DFIDRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000160340487 425979320 /nfs/dbraw/zinc/97/93/20/425979320.db2.gz IFRMZZHVVZCUNO-NSHDSACASA-N 1 0 323.462 2.604 20 70 DFIDRO Fc1ccc(F)c(N2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000161400118 426022406 /nfs/dbraw/zinc/02/24/06/426022406.db2.gz XQECARBVPXFQQE-UHFFFAOYSA-N 1 0 323.431 2.963 20 70 DFIDRO CCOCCC1(C(=O)NCC(C)(C)[NH+]2CCCCC2)CCC1 ZINC000161377597 426022475 /nfs/dbraw/zinc/02/24/75/426022475.db2.gz KBGMLEAQJONLIA-UHFFFAOYSA-N 1 0 310.482 2.964 20 70 DFIDRO CN1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000161425174 426022610 /nfs/dbraw/zinc/02/26/10/426022610.db2.gz MXFVXAYZWFKKOX-MRXNPFEDSA-N 1 0 303.406 2.600 20 70 DFIDRO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000161428620 426023342 /nfs/dbraw/zinc/02/33/42/426023342.db2.gz VZEITPNSKBKIQE-HNNXBMFYSA-N 1 0 300.406 2.686 20 70 DFIDRO CCCOc1cccc(CC(=O)NC[C@H](C)[NH+](CC)CC)c1 ZINC000161440887 426024666 /nfs/dbraw/zinc/02/46/66/426024666.db2.gz KFOJFIJIMHQRSY-HNNXBMFYSA-N 1 0 306.450 2.864 20 70 DFIDRO CN1CCC([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000161466352 426025048 /nfs/dbraw/zinc/02/50/48/426025048.db2.gz ILZSUCRNPCWTNG-UHFFFAOYSA-N 1 0 319.468 2.516 20 70 DFIDRO CCN(CC)C(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161472897 426025821 /nfs/dbraw/zinc/02/58/21/426025821.db2.gz JZIHPKVCQCSANO-GOSISDBHSA-N 1 0 320.433 2.613 20 70 DFIDRO CN(C(=O)CCCOc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161484974 426026209 /nfs/dbraw/zinc/02/62/09/426026209.db2.gz RWWHRANQGJIXBE-XYPWUTKMSA-N 1 0 320.408 2.726 20 70 DFIDRO CC[C@@H](C)NC(=O)c1cccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000161086298 426008040 /nfs/dbraw/zinc/00/80/40/426008040.db2.gz BLKCATVLLWAODY-HDMKZQKVSA-N 1 0 317.477 2.645 20 70 DFIDRO CCO[C@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C12CCCC2 ZINC000161112985 426008539 /nfs/dbraw/zinc/00/85/39/426008539.db2.gz FNQAILMXXKHICU-CVEARBPZSA-N 1 0 302.418 2.613 20 70 DFIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000161095469 426008913 /nfs/dbraw/zinc/00/89/13/426008913.db2.gz SEPIALXPGADMIB-BZNIZROVSA-N 1 0 303.381 2.766 20 70 DFIDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccnn2C(C)C)c1 ZINC000161175775 426011604 /nfs/dbraw/zinc/01/16/04/426011604.db2.gz XYVTVXBABBKDOK-UHFFFAOYSA-N 1 0 314.433 2.846 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000161179190 426012367 /nfs/dbraw/zinc/01/23/67/426012367.db2.gz ZPQBFDQHJSZERH-UHFFFAOYSA-N 1 0 304.419 2.909 20 70 DFIDRO CCC[N@H+](CCO)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000161199222 426012449 /nfs/dbraw/zinc/01/24/49/426012449.db2.gz CJUBKNDRODHIDS-UHFFFAOYSA-N 1 0 312.417 2.668 20 70 DFIDRO [NH3+]C1(C(=O)NCc2ccccc2OC2CCC2)CCCCC1 ZINC000161200012 426012712 /nfs/dbraw/zinc/01/27/12/426012712.db2.gz GDHFRIOTMJQRFJ-UHFFFAOYSA-N 1 0 302.418 2.896 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000161247953 426014707 /nfs/dbraw/zinc/01/47/07/426014707.db2.gz GEKRJNOPTLMHTE-UXIGCNINSA-N 1 0 310.438 2.611 20 70 DFIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000161258461 426015464 /nfs/dbraw/zinc/01/54/64/426015464.db2.gz WEOBXUNHZWKYQJ-OALUTQOASA-N 1 0 308.425 2.694 20 70 DFIDRO COc1ccc(C)cc1CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161234190 426015466 /nfs/dbraw/zinc/01/54/66/426015466.db2.gz SRUSWYOGWDREAA-UHFFFAOYSA-N 1 0 305.418 2.821 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(Oc2ccccc2)o1 ZINC000161263473 426016175 /nfs/dbraw/zinc/01/61/75/426016175.db2.gz DARHGBOFTGRBGD-CYBMUJFWSA-N 1 0 300.358 2.896 20 70 DFIDRO Cc1ccc(C)c([C@H]2CN(C(=O)C[NH2+]CC3CC3)[C@@H](C)CO2)c1 ZINC000161274866 426016290 /nfs/dbraw/zinc/01/62/90/426016290.db2.gz AGCWABKTIXKCAC-MAUKXSAKSA-N 1 0 316.445 2.591 20 70 DFIDRO CCC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)[NH+](C)C ZINC000161280645 426016860 /nfs/dbraw/zinc/01/68/60/426016860.db2.gz QUMONAUAHHBFGQ-WFASDCNBSA-N 1 0 308.422 2.611 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@@H](C(C)C)N2CCC(C)CC2)CC1 ZINC000161280139 426017081 /nfs/dbraw/zinc/01/70/81/426017081.db2.gz IXYCAIPGTFUAAP-ACBHZAAOSA-N 1 0 323.525 2.780 20 70 DFIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000161333991 426019807 /nfs/dbraw/zinc/01/98/07/426019807.db2.gz HWKANBXJJOYESS-TUKIKUTGSA-N 1 0 320.383 2.669 20 70 DFIDRO CN(C(=O)CCCOCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161348586 426021442 /nfs/dbraw/zinc/02/14/42/426021442.db2.gz KMZAHNBOLBRLSW-JWTNVVGKSA-N 1 0 316.445 2.725 20 70 DFIDRO C[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)N1CCc2ccccc21 ZINC000161391231 426021829 /nfs/dbraw/zinc/02/18/29/426021829.db2.gz ULZIUMLZRDYZBL-HNNXBMFYSA-N 1 0 316.445 2.713 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1csc(-c2ccc(C)o2)n1 ZINC000161375589 426021961 /nfs/dbraw/zinc/02/19/61/426021961.db2.gz HZPPAIACSFSNNZ-NSHDSACASA-N 1 0 305.403 2.536 20 70 DFIDRO O=C(c1ccnc(Cl)c1F)N1CC[NH+](C2CCCC2)CC1 ZINC000161386340 426022145 /nfs/dbraw/zinc/02/21/45/426022145.db2.gz FFYFJTDWFVLMRV-UHFFFAOYSA-N 1 0 311.788 2.575 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2ccc(Cl)cc2n1 ZINC000161239065 273964530 /nfs/dbraw/zinc/96/45/30/273964530.db2.gz WRFDXFVECHNHMB-ZDUSSCGKSA-N 1 0 303.793 2.712 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Oc1cccc(C(C)C)c1 ZINC000161190369 277284719 /nfs/dbraw/zinc/28/47/19/277284719.db2.gz NYXCQWMZBKYWBT-GOEBONIOSA-N 1 0 304.434 2.788 20 70 DFIDRO COc1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1OC ZINC000159510777 278013222 /nfs/dbraw/zinc/01/32/22/278013222.db2.gz ZGRAKBHGNLHHRN-JQFCIGGWSA-N 1 0 303.402 2.751 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](Cc1ccc(F)cc1)C(C)C)CC2 ZINC000160449286 279144115 /nfs/dbraw/zinc/14/41/15/279144115.db2.gz DOOBSHBTTAGUJS-IAGOWNOFSA-N 1 0 316.424 2.897 20 70 DFIDRO Cc1cc(C)nc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)c1 ZINC000160456485 280462248 /nfs/dbraw/zinc/46/22/48/280462248.db2.gz AWNCJOPVRDDORR-UHFFFAOYSA-N 1 0 300.406 2.567 20 70 DFIDRO CC1(C)C[C@H]([NH2+]CCCc2nnc3n2CCCCC3)C(C)(C)O1 ZINC000161180256 281356802 /nfs/dbraw/zinc/35/68/02/281356802.db2.gz ZTZTVKWMOQXOPL-AWEZNQCLSA-N 1 0 320.481 2.873 20 70 DFIDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ncccc1F)CC(C)C ZINC000159582864 295378651 /nfs/dbraw/zinc/37/86/51/295378651.db2.gz TWZNGZIZDRIERO-AWEZNQCLSA-N 1 0 324.444 2.776 20 70 DFIDRO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000159640368 295379360 /nfs/dbraw/zinc/37/93/60/295379360.db2.gz OVFWEFKOILGTPG-DOMZBBRYSA-N 1 0 324.469 2.670 20 70 DFIDRO COC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159672416 295380205 /nfs/dbraw/zinc/38/02/05/295380205.db2.gz LODQQKCJXXKGCU-BBRMVZONSA-N 1 0 316.401 2.676 20 70 DFIDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159767398 295381521 /nfs/dbraw/zinc/38/15/21/295381521.db2.gz UZTWEKDDWFNOAK-CJNGLKHVSA-N 1 0 322.405 2.975 20 70 DFIDRO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000159785931 295381715 /nfs/dbraw/zinc/38/17/15/295381715.db2.gz SKXXRCKWGZZCMU-HYVNUMGLSA-N 1 0 318.486 2.828 20 70 DFIDRO CNC(=O)c1cccc(C[N@H+](CCc2nccs2)C(C)C)c1 ZINC000159805381 295382102 /nfs/dbraw/zinc/38/21/02/295382102.db2.gz RTIBNQNZKBMQPA-UHFFFAOYSA-N 1 0 317.458 2.956 20 70 DFIDRO C[NH+](C)CCN(Cc1ccccn1)c1nc(C(C)(C)C)ns1 ZINC000160031903 295385669 /nfs/dbraw/zinc/38/56/69/295385669.db2.gz DMGZIRKPNBUTPW-UHFFFAOYSA-N 1 0 319.478 2.799 20 70 DFIDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COCc2ccco2)n1 ZINC000160107769 295386426 /nfs/dbraw/zinc/38/64/26/295386426.db2.gz HPROUQYPQHABQY-MAUKXSAKSA-N 1 0 316.401 2.698 20 70 DFIDRO COCC(C)(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000160386312 295390849 /nfs/dbraw/zinc/39/08/49/295390849.db2.gz WGTKCMIHAKXKES-ZDUSSCGKSA-N 1 0 310.463 2.674 20 70 DFIDRO CC[NH+](CC)CCN(CCOC)c1nc2cc(F)ccc2o1 ZINC000160430903 295391250 /nfs/dbraw/zinc/39/12/50/295391250.db2.gz NIDNCPKYCWVVEB-UHFFFAOYSA-N 1 0 309.385 2.762 20 70 DFIDRO CCOc1cc(/C=C/C(=O)NCC([NH3+])(CC)CC)ccc1OC ZINC000160505830 295391894 /nfs/dbraw/zinc/39/18/94/295391894.db2.gz NPZSNANHWITXPE-PKNBQFBNSA-N 1 0 320.433 2.741 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cc(F)ccc1F ZINC000160598403 295393282 /nfs/dbraw/zinc/39/32/82/295393282.db2.gz DUSVMRQTJWXQAF-OAHLLOKOSA-N 1 0 310.388 2.744 20 70 DFIDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160615751 295394006 /nfs/dbraw/zinc/39/40/06/295394006.db2.gz NLZVVLLLJRWSTE-UXLLHSPISA-N 1 0 304.434 2.569 20 70 DFIDRO CCC(CC)n1ncc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000160665138 295394317 /nfs/dbraw/zinc/39/43/17/295394317.db2.gz KFMOPHPKWDPBMR-CQSZACIVSA-N 1 0 318.465 2.767 20 70 DFIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000161039317 295397666 /nfs/dbraw/zinc/39/76/66/295397666.db2.gz RAJKUJKDTOXSCG-IAGOWNOFSA-N 1 0 320.433 2.696 20 70 DFIDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2cncn2)cc1 ZINC000161133008 295399003 /nfs/dbraw/zinc/39/90/03/295399003.db2.gz RFQHRFIGCPXMIM-LESCRADOSA-N 1 0 313.449 2.791 20 70 DFIDRO COC[C@H](Cc1ccccc1)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161130865 295399144 /nfs/dbraw/zinc/39/91/44/295399144.db2.gz RIXMLORTDGTHOB-KRWDZBQOSA-N 1 0 313.397 2.805 20 70 DFIDRO C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCOC(C)(C)C2)cc1 ZINC000161463672 295403280 /nfs/dbraw/zinc/40/32/80/295403280.db2.gz MVQFNBQPWJXPSO-INIZCTEOSA-N 1 0 319.449 2.505 20 70 DFIDRO O=C1CCCN1CCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000159490754 304626383 /nfs/dbraw/zinc/62/63/83/304626383.db2.gz XRDDINZFWXYVMZ-HNNXBMFYSA-N 1 0 306.381 2.642 20 70 DFIDRO Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCC1=O)CCCO2 ZINC000159526913 301909588 /nfs/dbraw/zinc/90/95/88/301909588.db2.gz UKIUECKAOWDOCI-MRXNPFEDSA-N 1 0 302.418 2.811 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)N(CC[NH+](C)C)CC(C)C)n1 ZINC000159682255 519703065 /nfs/dbraw/zinc/70/30/65/519703065.db2.gz XNYKCRGAUQHZIB-UHFFFAOYSA-N 1 0 323.485 2.981 20 70 DFIDRO CC[N@@H+](Cc1cc(Br)ccc1O)CC(OC)OC ZINC000161335056 521286860 /nfs/dbraw/zinc/28/68/60/521286860.db2.gz LGPFVBOKISDGQV-UHFFFAOYSA-N 1 0 318.211 2.596 20 70 DFIDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000160314930 521489927 /nfs/dbraw/zinc/48/99/27/521489927.db2.gz XXHCYRLBLWXVJH-AWEZNQCLSA-N 1 0 322.449 2.573 20 70 DFIDRO CN(C)c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000159646801 522216124 /nfs/dbraw/zinc/21/61/24/522216124.db2.gz CODFUMHDRARXQB-COXVUDFISA-N 1 0 304.409 2.939 20 70 DFIDRO COc1ccccc1C[C@@H]([NH2+][C@@H](CCO)CSC)C(C)C ZINC000160396170 524502652 /nfs/dbraw/zinc/50/26/52/524502652.db2.gz RRUKWRXPEDRFDM-JKSUJKDBSA-N 1 0 311.491 2.966 20 70 DFIDRO Cc1cccc(NC(=O)C2CC[NH+](CCCOC(C)C)CC2)n1 ZINC000159375011 524583466 /nfs/dbraw/zinc/58/34/66/524583466.db2.gz ODWKHONTNHSYJR-UHFFFAOYSA-N 1 0 319.449 2.856 20 70 DFIDRO Cc1cc(Br)cc(CN2CC[C@@H]([NH+](C)C)C2)c1O ZINC000160966186 526157824 /nfs/dbraw/zinc/15/78/24/526157824.db2.gz ITTIFUQJIIVRAD-CYBMUJFWSA-N 1 0 313.239 2.599 20 70 DFIDRO Cc1csc([C@@H]2CN(CCC[NH+]3CCCCC3)CCO2)n1 ZINC000161308839 526423141 /nfs/dbraw/zinc/42/31/41/526423141.db2.gz VDLHTRJAVQUIEL-HNNXBMFYSA-N 1 0 309.479 2.701 20 70 DFIDRO O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000161189866 526866493 /nfs/dbraw/zinc/86/64/93/526866493.db2.gz SQHFXAWYRKSGIJ-JQWIXIFHSA-N 1 0 304.287 2.545 20 70 DFIDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000159646362 282290488 /nfs/dbraw/zinc/29/04/88/282290488.db2.gz CODFUMHDRARXQB-XKQJLSEDSA-N 1 0 304.409 2.939 20 70 DFIDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000159576303 186128608 /nfs/dbraw/zinc/12/86/08/186128608.db2.gz PTYQSJFEUHZUNL-FZMZJTMJSA-N 1 0 314.476 2.604 20 70 DFIDRO CCC[C@@H](C(=O)N[C@H]1CCCN(c2ccccc2)C1)[NH+](C)C ZINC000159603771 186130135 /nfs/dbraw/zinc/13/01/35/186130135.db2.gz WXRWHUZHFGYSRP-RDJZCZTQSA-N 1 0 303.450 2.502 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](COC)C(C)C)cc1 ZINC000159661247 186133664 /nfs/dbraw/zinc/13/36/64/186133664.db2.gz OWKSNJVEUOVAMN-CJNGLKHVSA-N 1 0 313.463 2.802 20 70 DFIDRO O=C(Cc1ccc(F)c(F)c1)NCC[NH2+]C1CCCCCC1 ZINC000159659878 186133799 /nfs/dbraw/zinc/13/37/99/186133799.db2.gz LCVJBOWZGWEQBM-UHFFFAOYSA-N 1 0 310.388 2.936 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000159674128 186134875 /nfs/dbraw/zinc/13/48/75/186134875.db2.gz FTLWOYPQSLVSBF-VNHYZAJKSA-N 1 0 311.447 2.556 20 70 DFIDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Cl)cc1 ZINC000159733713 186137983 /nfs/dbraw/zinc/13/79/83/186137983.db2.gz REPOHCKGHPMHAD-UHFFFAOYSA-N 1 0 321.764 2.542 20 70 DFIDRO [NH3+]C1(CNC(=O)c2cnc(-c3ccccc3)nc2)CCCCC1 ZINC000159762268 398966289 /nfs/dbraw/zinc/96/62/89/398966289.db2.gz DVABODFFIPDYTI-UHFFFAOYSA-N 1 0 310.401 2.535 20 70 DFIDRO Cc1nn(C)cc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000159628076 398965176 /nfs/dbraw/zinc/96/51/76/398965176.db2.gz SJOQDLXTNARMPC-GOSISDBHSA-N 1 0 315.417 2.987 20 70 DFIDRO COc1ccc2oc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c(C)c2c1 ZINC000160560377 398971709 /nfs/dbraw/zinc/97/17/09/398971709.db2.gz SQNGCYCTFHFCLD-BETUJISGSA-N 1 0 314.385 2.716 20 70 DFIDRO Cc1nc2cc(NC(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)ccc2o1 ZINC000160639131 398971485 /nfs/dbraw/zinc/97/14/85/398971485.db2.gz PZXNRJRGCUTGIO-CQSZACIVSA-N 1 0 314.389 2.742 20 70 DFIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000160870454 398973200 /nfs/dbraw/zinc/97/32/00/398973200.db2.gz NSZCEUGFVUHZAS-HXUWFJFHSA-N 1 0 316.854 2.545 20 70 DFIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000161132879 296163826 /nfs/dbraw/zinc/16/38/26/296163826.db2.gz TYJXHXDTJQRWFL-KBMXLJTQSA-N 1 0 324.490 2.614 20 70 DFIDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc(=O)[nH]c3)CC2)CC1 ZINC000161463840 197497526 /nfs/dbraw/zinc/49/75/26/197497526.db2.gz CGUCRRBKASMWQT-UHFFFAOYSA-N 1 0 317.433 2.560 20 70 DFIDRO CO[C@H](CNC(=O)CC1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000161410634 197492457 /nfs/dbraw/zinc/49/24/57/197492457.db2.gz JQIXKQQXKLFWKE-OAHLLOKOSA-N 1 0 310.825 2.533 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000161250662 197478392 /nfs/dbraw/zinc/47/83/92/197478392.db2.gz PAVMKAKBDAFOFF-TZMCWYRMSA-N 1 0 310.463 2.802 20 70 DFIDRO C[C@H](CNC(=O)c1cc(F)cc2cccnc21)C[NH+]1CCCC1 ZINC000161101121 197464489 /nfs/dbraw/zinc/46/44/89/197464489.db2.gz HRRJQBPLLKGBMA-CYBMUJFWSA-N 1 0 315.392 2.836 20 70 DFIDRO CCc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)s1 ZINC000160443037 197411438 /nfs/dbraw/zinc/41/14/38/197411438.db2.gz GAZWZKLMBYEFRU-CYBMUJFWSA-N 1 0 323.506 2.514 20 70 DFIDRO CC[C@@H](CO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160307581 197399501 /nfs/dbraw/zinc/39/95/01/197399501.db2.gz MWQVJCNZGVQTDP-NSHDSACASA-N 1 0 309.207 2.858 20 70 DFIDRO CC[C@@H](C(=O)Nc1ccc(OCCOC)c(Cl)c1)[NH+](C)C ZINC000160291063 197398051 /nfs/dbraw/zinc/39/80/51/197398051.db2.gz RHTALZJVQKYGLE-ZDUSSCGKSA-N 1 0 314.813 2.644 20 70 DFIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000160147244 197389181 /nfs/dbraw/zinc/38/91/81/197389181.db2.gz XOLCUSNLAHYUCQ-GJZGRUSLSA-N 1 0 301.438 2.648 20 70 DFIDRO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000160068120 197383939 /nfs/dbraw/zinc/38/39/39/197383939.db2.gz FJXWHIXJKKYNRE-UFGOTCBOSA-N 1 0 311.223 2.754 20 70 DFIDRO C[C@@H](CCC(=O)NCC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC000160124803 197388324 /nfs/dbraw/zinc/38/83/24/197388324.db2.gz IPGDVJMDYYPJSG-INIZCTEOSA-N 1 0 318.461 2.797 20 70 DFIDRO C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000160112888 197386848 /nfs/dbraw/zinc/38/68/48/197386848.db2.gz MCHZDUYKHLMHBZ-AWEZNQCLSA-N 1 0 312.413 2.974 20 70 DFIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000159977357 197378077 /nfs/dbraw/zinc/37/80/77/197378077.db2.gz GXDYSLKEJDHWHK-QMMMGPOBSA-N 1 0 310.703 2.957 20 70 DFIDRO Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCOC(C)(C)C3)c(C)n2n1 ZINC000159946043 197375722 /nfs/dbraw/zinc/37/57/22/197375722.db2.gz KPMQXWLCLIOKDA-JSGCOSHPSA-N 1 0 302.422 2.954 20 70 DFIDRO CC(C)([NH3+])CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000159942015 197375402 /nfs/dbraw/zinc/37/54/02/197375402.db2.gz MPVTYVLEFXZVQD-WDEREUQCSA-N 1 0 301.217 2.950 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Sc2ccccc2)CC1 ZINC000159923979 197373780 /nfs/dbraw/zinc/37/37/80/197373780.db2.gz HDMMYCGFYDDLON-OAHLLOKOSA-N 1 0 321.490 2.904 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2cc3ccccc3o2)CC1 ZINC000159890493 197370706 /nfs/dbraw/zinc/37/07/06/197370706.db2.gz SXWPUABHDHBHNV-UHFFFAOYSA-N 1 0 315.417 2.713 20 70 DFIDRO O=C(c1cc(-c2ccco2)on1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159867077 197369792 /nfs/dbraw/zinc/36/97/92/197369792.db2.gz CCYAVCUGISLLAV-UHFFFAOYSA-N 1 0 315.373 2.539 20 70 DFIDRO CC[N@H+](CCn1ccnc1)CC1CCN(c2ccccn2)CC1 ZINC000159861709 197369092 /nfs/dbraw/zinc/36/90/92/197369092.db2.gz SPBMLXMQIIFDRO-UHFFFAOYSA-N 1 0 313.449 2.517 20 70 DFIDRO C[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C[C@H]1CCC[C@@H]1O ZINC000159849903 197369305 /nfs/dbraw/zinc/36/93/05/197369305.db2.gz KICOFHCXKPHFOW-RISCZKNCSA-N 1 0 321.808 2.983 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159813496 197366605 /nfs/dbraw/zinc/36/66/05/197366605.db2.gz ZRISCUMWSSEOQJ-GXTWGEPZSA-N 1 0 312.866 2.736 20 70 DFIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(C)cc(OC)c2)C1 ZINC000159763680 197362523 /nfs/dbraw/zinc/36/25/23/197362523.db2.gz IRGRMBHBUDYUHD-HNNXBMFYSA-N 1 0 319.449 2.535 20 70 DFIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc(F)c(F)c(F)c1 ZINC000159515044 197359979 /nfs/dbraw/zinc/35/99/79/197359979.db2.gz IFGIDIVYPNNSSD-SNVBAGLBSA-N 1 0 300.324 2.767 20 70 DFIDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCc1ccc(F)cc1F)C2 ZINC000159459058 197354898 /nfs/dbraw/zinc/35/48/98/197354898.db2.gz DXHJVHHZTJDVNU-LSDHHAIUSA-N 1 0 308.372 2.593 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000160092477 197385016 /nfs/dbraw/zinc/38/50/16/197385016.db2.gz QSMINAPFZSPBKP-SNVBAGLBSA-N 1 0 304.362 2.615 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000159578903 285215478 /nfs/dbraw/zinc/21/54/78/285215478.db2.gz BZFKFABIICSKEJ-STQMWFEESA-N 1 0 321.387 2.845 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000159454558 542717447 /nfs/dbraw/zinc/71/74/47/542717447.db2.gz PHMLPLQSKCRDBQ-BONVTDFDSA-N 1 0 322.792 2.898 20 70 DFIDRO CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000159412289 542717718 /nfs/dbraw/zinc/71/77/18/542717718.db2.gz YUHXWJSSPCGCIT-QGZVFWFLSA-N 1 0 320.433 2.804 20 70 DFIDRO CCC(C)(CC)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000159464455 542718067 /nfs/dbraw/zinc/71/80/67/542718067.db2.gz UXFYNIVBPYKFKO-KRWDZBQOSA-N 1 0 318.461 2.696 20 70 DFIDRO CCCCn1ncc(NC(=O)N2CC[NH+](CC3CC3)CC2)c1C ZINC000159738351 542719188 /nfs/dbraw/zinc/71/91/88/542719188.db2.gz KPAAUVYUNVWBQQ-UHFFFAOYSA-N 1 0 319.453 2.551 20 70 DFIDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)cc1 ZINC000159901106 542720017 /nfs/dbraw/zinc/72/00/17/542720017.db2.gz ZVFGRIMOKHXBLY-CHWSQXEVSA-N 1 0 313.463 2.600 20 70 DFIDRO Cc1nccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1Cl ZINC000159861300 542720186 /nfs/dbraw/zinc/72/01/86/542720186.db2.gz LUARYCVADZWSNK-ZDUSSCGKSA-N 1 0 310.829 2.847 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(Br)c(F)c2)C1 ZINC000161317644 542728445 /nfs/dbraw/zinc/72/84/45/542728445.db2.gz NFBQQPGOYKVFEN-UWVGGRQHSA-N 1 0 315.186 2.588 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)C1 ZINC000161313838 542728733 /nfs/dbraw/zinc/72/87/33/542728733.db2.gz BZDMOYQGDIQKIO-MNOVXSKESA-N 1 0 318.808 2.730 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCCOc2ccc(Cl)cc2)C1 ZINC000161302828 542728979 /nfs/dbraw/zinc/72/89/79/542728979.db2.gz TVWNKIBKPZGDCW-KGLIPLIRSA-N 1 0 310.825 2.885 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(Oc3ccccc3)nc2)C1 ZINC000161440623 542729623 /nfs/dbraw/zinc/72/96/23/542729623.db2.gz FTUXRIBENJEYCE-HUUCEWRRSA-N 1 0 311.385 2.874 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)C1 ZINC000161397499 542729648 /nfs/dbraw/zinc/72/96/48/542729648.db2.gz FQESAPQPALFMRQ-UONOGXRCSA-N 1 0 308.809 2.689 20 70 DFIDRO Cc1cccc(OCCCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161485825 542729921 /nfs/dbraw/zinc/72/99/21/542729921.db2.gz YDYNHHWIXQWQSW-HOTGVXAUSA-N 1 0 304.434 2.930 20 70 DFIDRO CC(C)(C)n1nc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1C1CC1 ZINC000161508334 542730744 /nfs/dbraw/zinc/73/07/44/542730744.db2.gz FFVOUBONTWBWSF-QWHCGFSZSA-N 1 0 304.438 2.515 20 70 DFIDRO CC(C)c1nn(C)c2sc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cc12 ZINC000160784225 542724417 /nfs/dbraw/zinc/72/44/17/542724417.db2.gz JTQQSEVZLGJJDG-MNOVXSKESA-N 1 0 320.462 2.758 20 70 DFIDRO CCCN(CC)c1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160762548 542724619 /nfs/dbraw/zinc/72/46/19/542724619.db2.gz VTTKYMMCGXXRRG-JKSUJKDBSA-N 1 0 303.450 2.923 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2c[nH]nc2-c2ccccc2Cl)C1 ZINC000160789570 542724654 /nfs/dbraw/zinc/72/46/54/542724654.db2.gz PQCYAHKBGGCYGJ-QWRGUYRKSA-N 1 0 318.808 2.730 20 70 DFIDRO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000218675796 542879080 /nfs/dbraw/zinc/87/90/80/542879080.db2.gz MCRJECRGQHMNEV-DLTWYDFYSA-N 1 0 316.445 2.993 20 70 DFIDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160471317 286371541 /nfs/dbraw/zinc/37/15/41/286371541.db2.gz AXDFTXJIGGPJTJ-IOASZLSFSA-N 1 0 314.433 2.692 20 70 DFIDRO COCCC1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000161034598 292296077 /nfs/dbraw/zinc/29/60/77/292296077.db2.gz HZCGHJGXZXNFTM-INIZCTEOSA-N 1 0 304.434 2.531 20 70 DFIDRO CCn1ccnc1C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000217809669 268139769 /nfs/dbraw/zinc/13/97/69/268139769.db2.gz YCVMDASJEBKDCT-ZDUSSCGKSA-N 1 0 310.442 2.542 20 70 DFIDRO CCn1ccnc1C[NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000217802163 268139785 /nfs/dbraw/zinc/13/97/85/268139785.db2.gz MHBOMVZOEHXBIM-AWEZNQCLSA-N 1 0 322.453 2.640 20 70 DFIDRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000218103373 268139793 /nfs/dbraw/zinc/13/97/93/268139793.db2.gz NMFMBSHUGCFASH-NRXISQOPSA-N 1 0 312.454 2.981 20 70 DFIDRO CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000217740728 268139864 /nfs/dbraw/zinc/13/98/64/268139864.db2.gz QUFXEJHJRMHVTL-MJBXVCDLSA-N 1 0 300.443 2.573 20 70 DFIDRO C[C@H]([NH2+]Cc1nccn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249394 268139880 /nfs/dbraw/zinc/13/98/80/268139880.db2.gz CQANBHTVVFFUGW-UONOGXRCSA-N 1 0 322.453 2.545 20 70 DFIDRO CC[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160365657 425980537 /nfs/dbraw/zinc/98/05/37/425980537.db2.gz UNIPZXKZKJUATM-SJLPKXTDSA-N 1 0 318.461 2.533 20 70 DFIDRO [NH3+]C1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000160379909 425980597 /nfs/dbraw/zinc/98/05/97/425980597.db2.gz JQODXWMTJNKEIW-UHFFFAOYSA-N 1 0 320.234 2.920 20 70 DFIDRO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c(OC)c1 ZINC000160428598 425981377 /nfs/dbraw/zinc/98/13/77/425981377.db2.gz VCKUUYRMPAWRBB-CQSZACIVSA-N 1 0 320.433 2.554 20 70 DFIDRO CCOC[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000160497226 425983874 /nfs/dbraw/zinc/98/38/74/425983874.db2.gz CWWJJKDMXKHJNN-RHSMWYFYSA-N 1 0 320.408 2.680 20 70 DFIDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2nc3ccccc3o2)C[C@H](C)O1 ZINC000160490129 425983975 /nfs/dbraw/zinc/98/39/75/425983975.db2.gz AWTBZKILSLLUJJ-ZNMIVQPWSA-N 1 0 315.417 2.906 20 70 DFIDRO COc1cccc(Cl)c1CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000160496145 425984230 /nfs/dbraw/zinc/98/42/30/425984230.db2.gz GOLSPBSNPWKRDB-OLZOCXBDSA-N 1 0 324.852 2.880 20 70 DFIDRO O=C(C[NH2+][C@H]1CCSc2ccc(F)cc21)NCC(F)(F)F ZINC000160518995 425985509 /nfs/dbraw/zinc/98/55/09/425985509.db2.gz KGXRYYFUFBZRGT-JTQLQIEISA-N 1 0 322.327 2.631 20 70 DFIDRO COC(=O)c1ccc([C@H](C)[NH+]2CCC(c3ccnn3C)CC2)o1 ZINC000160531202 425986266 /nfs/dbraw/zinc/98/62/66/425986266.db2.gz AJWKJMAAFSAKHD-LBPRGKRZSA-N 1 0 317.389 2.740 20 70 DFIDRO CC(C)C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000160559336 425987270 /nfs/dbraw/zinc/98/72/70/425987270.db2.gz BROFNMWPUYGPQN-CVEARBPZSA-N 1 0 324.852 2.922 20 70 DFIDRO CC[NH+](CC)CCCNC(=O)NCc1nc(C(C)C)cs1 ZINC000160662687 425990545 /nfs/dbraw/zinc/99/05/45/425990545.db2.gz GJNINVGYRUEEPU-UHFFFAOYSA-N 1 0 312.483 2.798 20 70 DFIDRO CCn1ccnc1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000160738248 425994610 /nfs/dbraw/zinc/99/46/10/425994610.db2.gz GVWWUCTYPYQXDC-UHFFFAOYSA-N 1 0 316.424 2.750 20 70 DFIDRO C#CCSCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160739630 425994893 /nfs/dbraw/zinc/99/48/93/425994893.db2.gz OXYJZDLHUQYVRU-UHFFFAOYSA-N 1 0 317.336 2.678 20 70 DFIDRO COc1cccc(Cl)c1CC(=O)N(CC[NH+](C)C)C(C)C ZINC000160787979 425996543 /nfs/dbraw/zinc/99/65/43/425996543.db2.gz RVZDECKAFCXAIP-UHFFFAOYSA-N 1 0 312.841 2.690 20 70 DFIDRO O=C(C1CC1)N1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160886497 425999886 /nfs/dbraw/zinc/99/98/86/425999886.db2.gz OYCVIEPLZNLQOU-UHFFFAOYSA-N 1 0 310.800 2.970 20 70 DFIDRO CC1=C(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCO1 ZINC000160909812 426001852 /nfs/dbraw/zinc/00/18/52/426001852.db2.gz QFLTWCAUUKVXEB-WMLDXEAASA-N 1 0 304.434 2.546 20 70 DFIDRO CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccc(F)cc1F ZINC000160912287 426001955 /nfs/dbraw/zinc/00/19/55/426001955.db2.gz AWZISMKUPUFSRQ-PBHICJAKSA-N 1 0 310.388 2.869 20 70 DFIDRO CC(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000160908060 426002045 /nfs/dbraw/zinc/00/20/45/426002045.db2.gz HBWWXVHAFSRAII-YOEHRIQHSA-N 1 0 320.433 2.535 20 70 DFIDRO CC[N@@H+]1CCC[C@H](CNc2ncnc3c2cnn3C(C)(C)C)C1 ZINC000160916914 426002069 /nfs/dbraw/zinc/00/20/69/426002069.db2.gz RNFFZSHRDFFSNE-CYBMUJFWSA-N 1 0 316.453 2.725 20 70 DFIDRO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000160965012 426002885 /nfs/dbraw/zinc/00/28/85/426002885.db2.gz CWDILSXWAZGWEI-MRXNPFEDSA-N 1 0 309.417 2.812 20 70 DFIDRO CC[C@H](C)OCC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000160940779 426003183 /nfs/dbraw/zinc/00/31/83/426003183.db2.gz SQZPCCQKUQAWJR-AWEZNQCLSA-N 1 0 310.413 2.531 20 70 DFIDRO CC[C@@H]([NH2+]CC(=O)NC(C)C)c1ccc(OC(F)F)cc1 ZINC000160985672 426003872 /nfs/dbraw/zinc/00/38/72/426003872.db2.gz VXPOOEGDBRIDIM-CYBMUJFWSA-N 1 0 300.349 2.853 20 70 DFIDRO Cc1nc(-c2ccco2)ccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159373020 425958925 /nfs/dbraw/zinc/95/89/25/425958925.db2.gz VAELJRKDMKIZTC-OKILXGFUSA-N 1 0 311.385 2.617 20 70 DFIDRO COc1ccccc1[C@H](NC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000159465399 425960556 /nfs/dbraw/zinc/96/05/56/425960556.db2.gz QGAIEXIDAAJUFM-LJQANCHMSA-N 1 0 324.424 2.900 20 70 DFIDRO COc1ccccc1[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000159466415 425960742 /nfs/dbraw/zinc/96/07/42/425960742.db2.gz UUSIBVAHLSKPHN-APWZRJJASA-N 1 0 324.424 2.900 20 70 DFIDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159543009 425961652 /nfs/dbraw/zinc/96/16/52/425961652.db2.gz LNCILQWMOYXWHU-GDBMZVCRSA-N 1 0 310.482 2.506 20 70 DFIDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C(C)(C)C[NH3+])cc1 ZINC000159533352 425961686 /nfs/dbraw/zinc/96/16/86/425961686.db2.gz BHPDASMHUWSDBG-CVEARBPZSA-N 1 0 304.434 2.564 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000159555001 425963518 /nfs/dbraw/zinc/96/35/18/425963518.db2.gz NBRNIJDNGXRYTA-ZDUSSCGKSA-N 1 0 323.412 2.633 20 70 DFIDRO COc1cc(CC(=O)NCC[NH2+]C2CCCCCC2)ccc1C ZINC000159650051 425965671 /nfs/dbraw/zinc/96/56/71/425965671.db2.gz WLTDRQFPZUDCMJ-UHFFFAOYSA-N 1 0 318.461 2.975 20 70 DFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000159666378 425965839 /nfs/dbraw/zinc/96/58/39/425965839.db2.gz NYPQIKPNHXGJPA-CMPLNLGQSA-N 1 0 316.323 2.671 20 70 DFIDRO Cc1ccc(CCC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159736746 425966513 /nfs/dbraw/zinc/96/65/13/425966513.db2.gz ZGPVTTBJLCHVMP-UHFFFAOYSA-N 1 0 300.446 2.918 20 70 DFIDRO COc1ccc2cc(C[NH+]3CCC(CC(N)=O)CC3)ccc2c1 ZINC000159735461 425966777 /nfs/dbraw/zinc/96/67/77/425966777.db2.gz SANCMZVJFGAEAC-UHFFFAOYSA-N 1 0 312.413 2.936 20 70 DFIDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCN(C)Cc1ccc(F)cc1 ZINC000159764200 425967604 /nfs/dbraw/zinc/96/76/04/425967604.db2.gz FDMTUDOGAIBLTQ-QZTJIDSGSA-N 1 0 308.441 2.883 20 70 DFIDRO CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000159774241 425967732 /nfs/dbraw/zinc/96/77/32/425967732.db2.gz LRQZHZFBSLACBX-XJKSGUPXSA-N 1 0 322.424 2.735 20 70 DFIDRO C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)C1CC[NH2+]CC1 ZINC000159835959 425968453 /nfs/dbraw/zinc/96/84/53/425968453.db2.gz NKMMDEXVWQCJJK-LRDDRELGSA-N 1 0 322.836 2.628 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)Cc2ccccc2)CC1 ZINC000159874385 425968580 /nfs/dbraw/zinc/96/85/80/425968580.db2.gz LGVKZJIXSANFKD-UHFFFAOYSA-N 1 0 317.477 2.993 20 70 DFIDRO Cc1nccn1CCC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000159816829 425969616 /nfs/dbraw/zinc/96/96/16/425969616.db2.gz XVAFJCUFDVKXTR-UHFFFAOYSA-N 1 0 324.432 2.504 20 70 DFIDRO O=C(Cc1c[nH]c2ccc(Cl)cc12)NCC[NH+]1CCCCC1 ZINC000159889756 425969831 /nfs/dbraw/zinc/96/98/31/425969831.db2.gz YHMHLXFFNYFSQR-UHFFFAOYSA-N 1 0 319.836 2.966 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)CC1 ZINC000159917287 425970883 /nfs/dbraw/zinc/97/08/83/425970883.db2.gz RFVZKGJWKDBTTF-KRWDZBQOSA-N 1 0 317.477 2.972 20 70 DFIDRO COc1ccc(C2(C(=O)NCC(C)(C)[NH3+])CCCCC2)cc1 ZINC000159988582 425971594 /nfs/dbraw/zinc/97/15/94/425971594.db2.gz PFCHZJDRCVBCBS-UHFFFAOYSA-N 1 0 304.434 2.751 20 70 DFIDRO CCC(=O)N[C@@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000159940100 425971963 /nfs/dbraw/zinc/97/19/63/425971963.db2.gz LOAUOJAGWMVPGB-MRXNPFEDSA-N 1 0 304.434 2.618 20 70 DFIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1cccc(Cl)c1 ZINC000160010328 425972415 /nfs/dbraw/zinc/97/24/15/425972415.db2.gz AXUCBPKAZYKQCC-IOASZLSFSA-N 1 0 308.809 2.811 20 70 DFIDRO CCN(C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000160012138 425972761 /nfs/dbraw/zinc/97/27/61/425972761.db2.gz XRRCLXOFEWLPDC-YOEHRIQHSA-N 1 0 301.434 2.701 20 70 DFIDRO C[N@@H+](Cc1cccnc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161021011 426005435 /nfs/dbraw/zinc/00/54/35/426005435.db2.gz NQVATYHJZMHLJM-UHFFFAOYSA-N 1 0 303.450 2.798 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000160070030 425973894 /nfs/dbraw/zinc/97/38/94/425973894.db2.gz FBIQDCRFDVYYAH-ZDUSSCGKSA-N 1 0 306.435 2.636 20 70 DFIDRO CC[C@@H](COC)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160188176 425976482 /nfs/dbraw/zinc/97/64/82/425976482.db2.gz ACSMLQMWIGDLRC-LSDHHAIUSA-N 1 0 305.397 2.681 20 70 DFIDRO O=C(c1cc(Cl)cc2cccnc21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160178766 425976879 /nfs/dbraw/zinc/97/68/79/425976879.db2.gz FYQRXRVCQPHMEU-OKILXGFUSA-N 1 0 315.804 2.855 20 70 DFIDRO c1nc(N[C@H]2CCO[C@H](C3CC3)C2)cc(N2CCCCC2)n1 ZINC000160316767 425979202 /nfs/dbraw/zinc/97/92/02/425979202.db2.gz HXBUOPWLYQKYLH-GJZGRUSLSA-N 1 0 302.422 2.836 20 70 DFIDRO Cc1ccc([C@@H](O)C[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000160320124 425979819 /nfs/dbraw/zinc/97/98/19/425979819.db2.gz CBFFHHHOGRKENS-INIZCTEOSA-N 1 0 302.443 2.912 20 70 DFIDRO CO[C@@H](CNC(=O)CC1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000161410501 426022591 /nfs/dbraw/zinc/02/25/91/426022591.db2.gz JQIXKQQXKLFWKE-HNNXBMFYSA-N 1 0 310.825 2.533 20 70 DFIDRO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000161411379 426022654 /nfs/dbraw/zinc/02/26/54/426022654.db2.gz RVTMZZSFYGSLBR-HNNXBMFYSA-N 1 0 312.417 2.613 20 70 DFIDRO COc1ccccc1[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000161439012 426023923 /nfs/dbraw/zinc/02/39/23/426023923.db2.gz TVRIYOBGCOASNV-MAUKXSAKSA-N 1 0 310.397 2.711 20 70 DFIDRO Cc1ccccc1[C@H]1CN(C(=O)CC[NH2+]C(C)C)[C@H](C)CO1 ZINC000161468730 426024924 /nfs/dbraw/zinc/02/49/24/426024924.db2.gz GDVUQBFILBZOTB-NVXWUHKLSA-N 1 0 304.434 2.672 20 70 DFIDRO CCCCN1CCCC[C@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161463114 426024949 /nfs/dbraw/zinc/02/49/49/426024949.db2.gz XQWCUNFMRSJVBS-ABHNRTSZSA-N 1 0 309.498 2.678 20 70 DFIDRO C[C@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@H]1c1cccc(F)c1 ZINC000161485977 426026286 /nfs/dbraw/zinc/02/62/86/426026286.db2.gz VINXYTKLLXXKJR-QANKJYHBSA-N 1 0 320.408 2.504 20 70 DFIDRO CCCn1nc(C)c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC000161500079 426026350 /nfs/dbraw/zinc/02/63/50/426026350.db2.gz NRBIXDKDPHLMJD-AWEZNQCLSA-N 1 0 320.481 2.904 20 70 DFIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccc(Cl)c(OC)c1 ZINC000161083275 426007424 /nfs/dbraw/zinc/00/74/24/426007424.db2.gz DWDVTHYUTWDSEJ-AWEZNQCLSA-N 1 0 324.852 2.882 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000161072045 426008013 /nfs/dbraw/zinc/00/80/13/426008013.db2.gz OWSWCDHOCJKEOP-LBPRGKRZSA-N 1 0 310.467 2.866 20 70 DFIDRO CC[NH+](CC)CCCNC(=O)N1CCc2c(F)cccc2C1 ZINC000161134427 426010355 /nfs/dbraw/zinc/01/03/55/426010355.db2.gz PVPXLAWWCSDHOM-UHFFFAOYSA-N 1 0 307.413 2.625 20 70 DFIDRO COc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)cc1Br ZINC000161140938 426010461 /nfs/dbraw/zinc/01/04/61/426010461.db2.gz HAPZFVZFLACZHB-SECBINFHSA-N 1 0 302.212 2.707 20 70 DFIDRO COc1ccc(Br)c(C[NH2+]C(C)(C)[C@H](C)O)c1 ZINC000161125948 426010469 /nfs/dbraw/zinc/01/04/69/426010469.db2.gz MLRWYIGZDGVTET-VIFPVBQESA-N 1 0 302.212 2.707 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000161152336 426011459 /nfs/dbraw/zinc/01/14/59/426011459.db2.gz JREILNCEINQLBR-NSHDSACASA-N 1 0 317.216 2.583 20 70 DFIDRO CC[C@@H](NC(=O)[C@H]([NH3+])CCSC)c1ccc(F)cc1F ZINC000161210466 426013508 /nfs/dbraw/zinc/01/35/08/426013508.db2.gz NPEXBQLIPSLNMM-CHWSQXEVSA-N 1 0 302.390 2.613 20 70 DFIDRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCN(C)CC1 ZINC000161255032 426014547 /nfs/dbraw/zinc/01/45/47/426014547.db2.gz YJGISHMVMAVELA-HNNXBMFYSA-N 1 0 313.486 2.610 20 70 DFIDRO CC[N@H+](Cc1ccc(C(=O)N[C@H](CO)CC(C)C)cc1)C1CC1 ZINC000161247557 426015308 /nfs/dbraw/zinc/01/53/08/426015308.db2.gz PQYAJSJDCNEXSF-KRWDZBQOSA-N 1 0 318.461 2.808 20 70 DFIDRO CCn1c2ccccc2nc1[C@@H](C)NC(=O)C(CC)(CC)C[NH3+] ZINC000161277217 426016016 /nfs/dbraw/zinc/01/60/16/426016016.db2.gz OGAIEBLWICYFMX-CYBMUJFWSA-N 1 0 316.449 2.999 20 70 DFIDRO CCCOc1ccc(CCC(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000161289741 426017063 /nfs/dbraw/zinc/01/70/63/426017063.db2.gz YBNKNRKXACRCNS-INIZCTEOSA-N 1 0 304.434 2.618 20 70 DFIDRO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000161288421 426017443 /nfs/dbraw/zinc/01/74/43/426017443.db2.gz CJWUQMQGKOQXNG-HNNXBMFYSA-N 1 0 313.380 2.688 20 70 DFIDRO CC(C)n1nccc1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000161358218 426020740 /nfs/dbraw/zinc/02/07/40/426020740.db2.gz OYSZVVAEZXOMBQ-GASCZTMLSA-N 1 0 320.481 2.950 20 70 DFIDRO CC(C)n1nccc1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000161358340 426021390 /nfs/dbraw/zinc/02/13/90/426021390.db2.gz OYSZVVAEZXOMBQ-GJZGRUSLSA-N 1 0 320.481 2.950 20 70 DFIDRO CCOCCOCc1cccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000161376008 426022304 /nfs/dbraw/zinc/02/23/04/426022304.db2.gz HSPJZRJWMQKVLE-SFHVURJKSA-N 1 0 320.433 2.568 20 70 DFIDRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000161395726 426022384 /nfs/dbraw/zinc/02/23/84/426022384.db2.gz QXROFQGLHLUYMM-AWEZNQCLSA-N 1 0 300.381 2.743 20 70 DFIDRO C[C@@H]([NH2+]Cc1cc[nH]n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218177148 426566119 /nfs/dbraw/zinc/56/61/19/426566119.db2.gz LNHRVRYAKFAROO-CHWSQXEVSA-N 1 0 308.426 2.535 20 70 DFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(OC2CCCCC2)cc1 ZINC000160214996 271079777 /nfs/dbraw/zinc/07/97/77/271079777.db2.gz VDJWNNHGGJRMIR-HNNXBMFYSA-N 1 0 302.418 2.961 20 70 DFIDRO Cc1cccc([C@@H](NC(=O)[C@H]2CCC[N@H+]2C)c2ccccn2)c1 ZINC000160212493 271080042 /nfs/dbraw/zinc/08/00/42/271080042.db2.gz NVPDJYJJXUJURW-QZTJIDSGSA-N 1 0 309.413 2.690 20 70 DFIDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCSC1 ZINC000159568491 274206547 /nfs/dbraw/zinc/20/65/47/274206547.db2.gz ZOZOXKDBFJXHGV-AAEUAGOBSA-N 1 0 323.418 2.797 20 70 DFIDRO C[C@@H]1SCCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000161184436 274426306 /nfs/dbraw/zinc/42/63/06/274426306.db2.gz PUSZWFNUXVJLNL-IMJJTQAJSA-N 1 0 304.459 2.691 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2c(C)cccc2C)CC1 ZINC000160007949 276161931 /nfs/dbraw/zinc/16/19/31/276161931.db2.gz VMKDGAMDOLUMFP-UHFFFAOYSA-N 1 0 303.450 2.583 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000159511824 276162083 /nfs/dbraw/zinc/16/20/83/276162083.db2.gz DYOGBAUAKMRRAS-QGZVFWFLSA-N 1 0 301.434 2.801 20 70 DFIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000160495042 276442152 /nfs/dbraw/zinc/44/21/52/276442152.db2.gz PCXCOYCHSGDHNE-DZGCQCFKSA-N 1 0 315.377 2.550 20 70 DFIDRO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160805222 278145420 /nfs/dbraw/zinc/14/54/20/278145420.db2.gz SIXJHOLJBFQQDF-VYIWNADRSA-N 1 0 322.493 2.506 20 70 DFIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000161132504 278272272 /nfs/dbraw/zinc/27/22/72/278272272.db2.gz TYJXHXDTJQRWFL-IMJJTQAJSA-N 1 0 324.490 2.614 20 70 DFIDRO C[C@H]1CCO[C@H]1C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000159580929 278375472 /nfs/dbraw/zinc/37/54/72/278375472.db2.gz RMAQSBJTSUOHCA-QZOMQWOVSA-N 1 0 322.493 2.913 20 70 DFIDRO C[C@@H]1SCCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@H]1c1ccccc1 ZINC000159682213 279071042 /nfs/dbraw/zinc/07/10/42/279071042.db2.gz SZJUZLSTFJAYRB-JLJPHGGASA-N 1 0 304.459 2.834 20 70 DFIDRO CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159594352 279079819 /nfs/dbraw/zinc/07/98/19/279079819.db2.gz JNOMOBPZOZLTDI-BZSNNMDCSA-N 1 0 318.461 2.689 20 70 DFIDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000160486534 297020321 /nfs/dbraw/zinc/02/03/21/297020321.db2.gz HAOYZLCZKIJVJV-ZNMIVQPWSA-N 1 0 319.405 2.673 20 70 DFIDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1C ZINC000159437248 295376791 /nfs/dbraw/zinc/37/67/91/295376791.db2.gz BOGCXFRZGFHWSE-QGZVFWFLSA-N 1 0 324.490 2.597 20 70 DFIDRO Cc1ccc(C[C@H](C)N(C)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000159445341 295376851 /nfs/dbraw/zinc/37/68/51/295376851.db2.gz VFFMHXUKLOXPCH-WMZOPIPTSA-N 1 0 317.477 2.909 20 70 DFIDRO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000159640621 295379387 /nfs/dbraw/zinc/37/93/87/295379387.db2.gz OVFWEFKOILGTPG-IUODEOHRSA-N 1 0 324.469 2.670 20 70 DFIDRO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000159716552 295380604 /nfs/dbraw/zinc/38/06/04/295380604.db2.gz SZYZOKVISBNZGX-VYDXJSESSA-N 1 0 303.450 2.977 20 70 DFIDRO CC1(C)CC(NC(=O)CSCC(F)(F)F)CC(C)(C)[NH2+]1 ZINC000159842770 295382463 /nfs/dbraw/zinc/38/24/63/295382463.db2.gz GALUYKDBIRAXPY-UHFFFAOYSA-N 1 0 312.401 2.707 20 70 DFIDRO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+](C)C(C1CC1)C1CC1 ZINC000159867116 295383006 /nfs/dbraw/zinc/38/30/06/295383006.db2.gz XOEXGGIBKFRASV-UHFFFAOYSA-N 1 0 318.465 2.777 20 70 DFIDRO CC(C)[N@H+]1C[C@H](NC(=O)N2CCc3cccc(F)c3C2)[C@@H](C)C1 ZINC000159925146 295384099 /nfs/dbraw/zinc/38/40/99/295384099.db2.gz YTAZFHCEAQQIPI-GUYCJALGSA-N 1 0 319.424 2.622 20 70 DFIDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000159957009 295384672 /nfs/dbraw/zinc/38/46/72/295384672.db2.gz ACFPNZXZUXGWNM-KGLIPLIRSA-N 1 0 312.454 2.933 20 70 DFIDRO COc1cc(C)cc(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000160029772 295385700 /nfs/dbraw/zinc/38/57/00/295385700.db2.gz QDBGBKXSYQWHEE-CQSZACIVSA-N 1 0 321.465 2.779 20 70 DFIDRO CCCCN(C)c1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000160107910 295386350 /nfs/dbraw/zinc/38/63/50/295386350.db2.gz QGOLAPPQEZTFSB-SFHVURJKSA-N 1 0 317.477 2.993 20 70 DFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC2(C3CC3)CCC2)C1 ZINC000160247448 295388265 /nfs/dbraw/zinc/38/82/65/295388265.db2.gz UZEMYCKICFWFNW-HNNXBMFYSA-N 1 0 307.482 2.844 20 70 DFIDRO COc1ccc(C[C@H](C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1 ZINC000160250555 295388500 /nfs/dbraw/zinc/38/85/00/295388500.db2.gz YQJWAQGZTLIYAU-RDJZCZTQSA-N 1 0 320.477 2.966 20 70 DFIDRO Cc1cccc(C[NH+]2CCN(c3nc(C)ccc3C#N)CC2)c1 ZINC000160337032 295390007 /nfs/dbraw/zinc/39/00/07/295390007.db2.gz JYQIPGIOHGNOAL-UHFFFAOYSA-N 1 0 306.413 2.892 20 70 DFIDRO Cc1cccc2[nH]c(CNC(=O)c3cccc(C[NH+](C)C)c3)nc21 ZINC000160370803 295390367 /nfs/dbraw/zinc/39/03/67/295390367.db2.gz PCIYXEWJJQDMOJ-UHFFFAOYSA-N 1 0 322.412 2.863 20 70 DFIDRO CCC[NH+]1CCC(CNC(=O)c2cnn(CC(C)C)c2C)CC1 ZINC000160438008 295391098 /nfs/dbraw/zinc/39/10/98/295391098.db2.gz HHFOVKXPGICALS-UHFFFAOYSA-N 1 0 320.481 2.699 20 70 DFIDRO COc1cc(CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)ccc1C ZINC000160447130 295391171 /nfs/dbraw/zinc/39/11/71/295391171.db2.gz CZFNUAIBOROAKG-QGZVFWFLSA-N 1 0 318.461 2.783 20 70 DFIDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160467879 295391531 /nfs/dbraw/zinc/39/15/31/295391531.db2.gz AZNRAFGPXMKOFC-OAHLLOKOSA-N 1 0 319.405 2.753 20 70 DFIDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc2cccnc21 ZINC000160494196 295391925 /nfs/dbraw/zinc/39/19/25/295391925.db2.gz RZWTXYSZKCXLRC-ZDUSSCGKSA-N 1 0 315.392 2.978 20 70 DFIDRO CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000160531170 295392561 /nfs/dbraw/zinc/39/25/61/295392561.db2.gz UJNGPPNTUHJVSU-HNNXBMFYSA-N 1 0 310.482 2.961 20 70 DFIDRO Cc1cccc2[nH]c(CNC(=O)[C@H](c3ccccc3)N(C)C)nc21 ZINC000160578024 295392879 /nfs/dbraw/zinc/39/28/79/295392879.db2.gz ULMBZSIXXVECFS-SFHVURJKSA-N 1 0 322.412 2.790 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(C2CC2)n1 ZINC000160581406 295392979 /nfs/dbraw/zinc/39/29/79/295392979.db2.gz PSKCSSQRMLYADI-CYBMUJFWSA-N 1 0 307.463 2.871 20 70 DFIDRO Cc1ccc(C[C@H]([NH2+]CC(=O)NCC(F)(F)F)C(C)C)cc1 ZINC000160615955 295393747 /nfs/dbraw/zinc/39/37/47/295393747.db2.gz ASITZQMYDATMQS-AWEZNQCLSA-N 1 0 316.367 2.830 20 70 DFIDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1C ZINC000160618355 295393882 /nfs/dbraw/zinc/39/38/82/295393882.db2.gz BPQDASWXZNXNGF-GFCCVEGCSA-N 1 0 302.340 2.941 20 70 DFIDRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC(C)(C)O ZINC000160660515 295394341 /nfs/dbraw/zinc/39/43/41/295394341.db2.gz SLMLJEBSAYMTCZ-SECBINFHSA-N 1 0 304.203 2.880 20 70 DFIDRO Cc1ccc(C)c([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)c1 ZINC000160854521 295395896 /nfs/dbraw/zinc/39/58/96/295395896.db2.gz GOPKWTPNBOHQGJ-HNNXBMFYSA-N 1 0 324.490 2.626 20 70 DFIDRO C[NH+](C)CC1CCC(NC(=O)NCC2(C3CC3)CCC2)CC1 ZINC000160922387 295396226 /nfs/dbraw/zinc/39/62/26/295396226.db2.gz FKGGGMSFGGTGMD-UHFFFAOYSA-N 1 0 307.482 2.986 20 70 DFIDRO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](CCC)[NH+](C)C)CC1 ZINC000160991099 295397252 /nfs/dbraw/zinc/39/72/52/295397252.db2.gz QXNRXRUOLHKSIE-KRWDZBQOSA-N 1 0 311.514 2.687 20 70 DFIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000161039443 295397697 /nfs/dbraw/zinc/39/76/97/295397697.db2.gz RAJKUJKDTOXSCG-SJORKVTESA-N 1 0 320.433 2.696 20 70 DFIDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1OCC[C@@H]1C ZINC000161088498 295398436 /nfs/dbraw/zinc/39/84/36/295398436.db2.gz DCPBEDOCVPRJQY-QWHCGFSZSA-N 1 0 324.387 2.534 20 70 DFIDRO N#CCC[C@@H](NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000160719389 332888872 /nfs/dbraw/zinc/88/88/72/332888872.db2.gz MAQVBIWHLOEBSW-QZTJIDSGSA-N 1 0 324.428 2.687 20 70 DFIDRO [NH2+]=C(NCc1cccnc1Oc1cccc(F)c1)NC1CC1 ZINC000161502899 332909991 /nfs/dbraw/zinc/90/99/91/332909991.db2.gz XEAZAUJKECZTHH-UHFFFAOYSA-N 1 0 300.337 2.580 20 70 DFIDRO C[NH+]=C(NCCc1cc2ccccc2[nH]1)N(C)Cc1cccn1C ZINC000160857390 334880237 /nfs/dbraw/zinc/88/02/37/334880237.db2.gz ZNVLUIFYFIGGGL-UHFFFAOYSA-N 1 0 323.444 2.756 20 70 DFIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC000160322600 518561460 /nfs/dbraw/zinc/56/14/60/518561460.db2.gz YWAWSGKDUUORQI-SJORKVTESA-N 1 0 322.493 2.772 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC000161505450 519645468 /nfs/dbraw/zinc/64/54/68/519645468.db2.gz KKQXVKFIFDEXNQ-ZGRYLRDCSA-N 1 0 310.482 2.865 20 70 DFIDRO CC1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160488710 521041071 /nfs/dbraw/zinc/04/10/71/521041071.db2.gz KOCGFNMHBAKTJD-FUHWJXTLSA-N 1 0 316.493 2.748 20 70 DFIDRO CC[N@H+](CCc1nccs1)Cc1cc(OC)c(OC)cc1O ZINC000160484056 521182064 /nfs/dbraw/zinc/18/20/64/521182064.db2.gz YPKOQUBQIZEFBD-UHFFFAOYSA-N 1 0 322.430 2.931 20 70 DFIDRO C[N@@H+](CC(=O)N1CCC[C@@H]1c1cccs1)C[C@H]1CCC[C@@H]1O ZINC000159696304 522433586 /nfs/dbraw/zinc/43/35/86/522433586.db2.gz QPLPMOXZKLAEHY-KFWWJZLASA-N 1 0 322.474 2.504 20 70 DFIDRO Cc1cccc(C)c1CC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000160591403 524259853 /nfs/dbraw/zinc/25/98/53/524259853.db2.gz OINVWARGDQUMCS-SFHVURJKSA-N 1 0 307.397 2.534 20 70 DFIDRO Cc1ccc([C@@H]2CN(C(=O)CC3CC[NH2+]CC3)CCO2)c(C)c1 ZINC000160415541 525829389 /nfs/dbraw/zinc/82/93/89/525829389.db2.gz KMJPDLRGHKNQPI-SFHVURJKSA-N 1 0 316.445 2.593 20 70 DFIDRO C[C@H](CSCc1ccccc1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000159544873 186126174 /nfs/dbraw/zinc/12/61/74/186126174.db2.gz GGCKBQYPMLOZOM-GDBMZVCRSA-N 1 0 306.475 2.624 20 70 DFIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000159571887 186127854 /nfs/dbraw/zinc/12/78/54/186127854.db2.gz KESXULFYMAQIJG-SECBINFHSA-N 1 0 314.223 2.633 20 70 DFIDRO COCCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159573930 186128538 /nfs/dbraw/zinc/12/85/38/186128538.db2.gz ZNKVFLFUSNNCSA-KSZLIROESA-N 1 0 317.429 2.759 20 70 DFIDRO Cc1nc(C)c(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)s1 ZINC000159581771 186128784 /nfs/dbraw/zinc/12/87/84/186128784.db2.gz ITPSWUMJBMNSNF-VBKZILBWSA-N 1 0 308.472 2.969 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCSC)cc1 ZINC000159590260 186129852 /nfs/dbraw/zinc/12/98/52/186129852.db2.gz UVJGZDKHSXMYRL-LBPRGKRZSA-N 1 0 301.477 2.884 20 70 DFIDRO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)C[C@@H]1CCC[C@@H]1O ZINC000159605952 186130418 /nfs/dbraw/zinc/13/04/18/186130418.db2.gz GCOASZHKWQFVKE-HZMBPMFUSA-N 1 0 314.788 2.510 20 70 DFIDRO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1C ZINC000159674411 186134550 /nfs/dbraw/zinc/13/45/50/186134550.db2.gz BKPDWRHJTTURGS-SZMVWBNQSA-N 1 0 318.461 2.573 20 70 DFIDRO COCc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000159672182 186134581 /nfs/dbraw/zinc/13/45/81/186134581.db2.gz QHBXMPNEBNLUGM-WBVHZDCISA-N 1 0 317.433 2.781 20 70 DFIDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000159736755 186138580 /nfs/dbraw/zinc/13/85/80/186138580.db2.gz ZNRQERBPFHXZHP-CQSZACIVSA-N 1 0 313.825 2.834 20 70 DFIDRO CCC[C@@H]([NH2+][C@H](C)CCOC)C(=O)N1CCc2sccc2C1 ZINC000160198865 283380086 /nfs/dbraw/zinc/38/00/86/283380086.db2.gz AQKAFGHWORQBDO-UKRRQHHQSA-N 1 0 324.490 2.816 20 70 DFIDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000159611431 398964725 /nfs/dbraw/zinc/96/47/25/398964725.db2.gz CPXILRXXURECMG-OCCSQVGLSA-N 1 0 308.447 2.898 20 70 DFIDRO CCc1nc([C@H](C)NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cs1 ZINC000159671798 398966403 /nfs/dbraw/zinc/96/64/03/398966403.db2.gz PBEHXHQUTNLDOP-GXTWGEPZSA-N 1 0 324.494 2.748 20 70 DFIDRO Cc1c(C)c(C)c(S(=O)(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c(C)c1C ZINC000160176218 398968481 /nfs/dbraw/zinc/96/84/81/398968481.db2.gz JTSDNMKWPFOICB-MGPLVRAMSA-N 1 0 324.490 2.729 20 70 DFIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160346788 398970570 /nfs/dbraw/zinc/97/05/70/398970570.db2.gz CJDOFVWZSZJZJJ-PBHICJAKSA-N 1 0 319.474 2.696 20 70 DFIDRO CN(C)[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)C1CCCCC1 ZINC000160403810 398970238 /nfs/dbraw/zinc/97/02/38/398970238.db2.gz CVVJUPKYNJVHBI-INIZCTEOSA-N 1 0 317.468 2.816 20 70 DFIDRO CCC[N@@H+](Cc1cn(C)nc1C)C[C@@H]1COc2ccccc2O1 ZINC000161410530 197492177 /nfs/dbraw/zinc/49/21/77/197492177.db2.gz RUSZSUFXYXUGBS-MRXNPFEDSA-N 1 0 315.417 2.781 20 70 DFIDRO COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc(OC)c1 ZINC000161334371 197486359 /nfs/dbraw/zinc/48/63/59/197486359.db2.gz PCXRZAPPOLCWHF-PKOBYXMFSA-N 1 0 315.413 2.576 20 70 DFIDRO CC1CCC(N(C[C@H]2CCCO2)C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000161225224 197476538 /nfs/dbraw/zinc/47/65/38/197476538.db2.gz TWOLZQCAZGCHHH-MNAZLIDISA-N 1 0 308.466 2.715 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)COc1cc(Cl)ccc1Cl ZINC000161157512 197470328 /nfs/dbraw/zinc/47/03/28/197470328.db2.gz PLDRCWOFPKCYOF-NSHDSACASA-N 1 0 317.216 2.583 20 70 DFIDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cccc(N2CCOC2=O)c1 ZINC000160538307 197419906 /nfs/dbraw/zinc/41/99/06/197419906.db2.gz LYGSTCZPEYGTQJ-KMFMINBZSA-N 1 0 318.417 2.845 20 70 DFIDRO CC(C)c1nccc(N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000160474589 197413921 /nfs/dbraw/zinc/41/39/21/197413921.db2.gz LFOOWBDYXPTWMV-OAGGEKHMSA-N 1 0 318.465 2.678 20 70 DFIDRO Cc1ccc(N2CC[C@@H](N3CCC([NH2+]C(C)C)CC3)C2=O)cc1 ZINC000160500195 197416797 /nfs/dbraw/zinc/41/67/97/197416797.db2.gz BTZODNWIWUAWNF-GOSISDBHSA-N 1 0 315.461 2.563 20 70 DFIDRO Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160350859 197402990 /nfs/dbraw/zinc/40/29/90/197402990.db2.gz HDAVMLRAZOLKRX-GOEBONIOSA-N 1 0 304.434 2.835 20 70 DFIDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(OCC3CCCCC3)cc2)C1 ZINC000160303955 197398902 /nfs/dbraw/zinc/39/89/02/197398902.db2.gz HNVCHJVASCQPGN-MRXNPFEDSA-N 1 0 302.418 2.819 20 70 DFIDRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cnn1CC(C)C ZINC000160289932 197398512 /nfs/dbraw/zinc/39/85/12/197398512.db2.gz GQLFKFJPSPLPRS-INIZCTEOSA-N 1 0 320.481 2.698 20 70 DFIDRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160170409 197390435 /nfs/dbraw/zinc/39/04/35/197390435.db2.gz UFAKEZVHNDCUQR-NXEZZACHSA-N 1 0 317.216 2.710 20 70 DFIDRO Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000160145668 197388632 /nfs/dbraw/zinc/38/86/32/197388632.db2.gz HCHGMPKPSNMDQG-ZDUSSCGKSA-N 1 0 301.415 2.682 20 70 DFIDRO CCC1(CC)[C@H]([NH2+][C@H](C(N)=O)c2ccc(F)cc2)C[C@H]1OC ZINC000160108069 197386482 /nfs/dbraw/zinc/38/64/82/197386482.db2.gz INCZZDQYOSLYDS-KFWWJZLASA-N 1 0 308.397 2.535 20 70 DFIDRO CN(CC(=O)Nc1cccc(Cl)c1Cl)[C@@H](C[NH3+])C1CC1 ZINC000160091655 197385302 /nfs/dbraw/zinc/38/53/02/197385302.db2.gz LDQSZCMCPWMDRY-LBPRGKRZSA-N 1 0 316.232 2.601 20 70 DFIDRO CN(Cc1ccc(F)cc1Br)[C@@H](C[NH3+])C1CC1 ZINC000160015735 197379932 /nfs/dbraw/zinc/37/99/32/197379932.db2.gz HINGNLAPTLHURO-ZDUSSCGKSA-N 1 0 301.203 2.757 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCc2nc(C(C)C)cs2)CC1 ZINC000160001788 197379479 /nfs/dbraw/zinc/37/94/79/197379479.db2.gz AJJRDMNKJMWMDZ-UHFFFAOYSA-N 1 0 310.467 2.504 20 70 DFIDRO COc1ccc2cc([C@@H](C)C(=O)NCC(C)(C)[NH3+])ccc2c1 ZINC000159983263 197378076 /nfs/dbraw/zinc/37/80/76/197378076.db2.gz WHRKHWDZRFEBTD-GFCCVEGCSA-N 1 0 300.402 2.805 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Sc2ccccc2)CC1 ZINC000159924124 197374281 /nfs/dbraw/zinc/37/42/81/197374281.db2.gz HDMMYCGFYDDLON-HNNXBMFYSA-N 1 0 321.490 2.904 20 70 DFIDRO C[C@H]1C[C@H](NC(=O)N(C)CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000159892843 197371462 /nfs/dbraw/zinc/37/14/62/197371462.db2.gz OSHSTDKUCXAMAL-YOEHRIQHSA-N 1 0 301.434 2.701 20 70 DFIDRO C[C@@H]1C[C@H](NC(=O)N(C)CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000159892701 197371434 /nfs/dbraw/zinc/37/14/34/197371434.db2.gz OSHSTDKUCXAMAL-PBHICJAKSA-N 1 0 301.434 2.701 20 70 DFIDRO CC[C@@H](COC)NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000159866636 197370016 /nfs/dbraw/zinc/37/00/16/197370016.db2.gz SVYUTRLBHDOKJT-ZBFHGGJFSA-N 1 0 321.465 2.840 20 70 DFIDRO CC[C@@H](C)OCC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000159818062 197366304 /nfs/dbraw/zinc/36/63/04/197366304.db2.gz UEIPZJWHNHZBNL-HZPDHXFCSA-N 1 0 306.450 2.828 20 70 DFIDRO NC(=O)CC1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000159803852 197365932 /nfs/dbraw/zinc/36/59/32/197365932.db2.gz KXNIMMHIGKKCJW-UHFFFAOYSA-N 1 0 309.413 2.836 20 70 DFIDRO Cc1nc(Cl)ccc1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000159777380 197363886 /nfs/dbraw/zinc/36/38/86/197363886.db2.gz APBZUWMRDUQSBX-GFCCVEGCSA-N 1 0 309.841 2.895 20 70 DFIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(OC(F)F)cc1 ZINC000159561536 197361643 /nfs/dbraw/zinc/36/16/43/197361643.db2.gz LPHKWDBYSHUMKB-LBPRGKRZSA-N 1 0 312.360 2.951 20 70 DFIDRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)C1CC[NH2+]CC1 ZINC000159526495 197361073 /nfs/dbraw/zinc/36/10/73/197361073.db2.gz NIHXQUMPYDSDNV-UHFFFAOYSA-N 1 0 317.433 2.918 20 70 DFIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccccc1OC(F)F ZINC000159510265 197360020 /nfs/dbraw/zinc/36/00/20/197360020.db2.gz JWCLSMODKDRYRT-LBPRGKRZSA-N 1 0 312.360 2.951 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCc2nc3ccccc3s2)CC1 ZINC000159506338 197358736 /nfs/dbraw/zinc/35/87/36/197358736.db2.gz WMFIUCOHQARBNS-UHFFFAOYSA-N 1 0 318.446 2.534 20 70 DFIDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000159454404 197355463 /nfs/dbraw/zinc/35/54/63/197355463.db2.gz JBLDMXWNOOBQAF-BYCMXARLSA-N 1 0 310.825 2.674 20 70 DFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000159440104 197353630 /nfs/dbraw/zinc/35/36/30/197353630.db2.gz NCVFHOILJFKBOA-BDAKNGLRSA-N 1 0 305.205 2.633 20 70 DFIDRO CC[C@@H]1CN(c2cc(Cl)nc(C3CC3)n2)CC[N@@H+]1CCOC ZINC000159406802 197351800 /nfs/dbraw/zinc/35/18/00/197351800.db2.gz NGBWWRQUNHPQEP-CYBMUJFWSA-N 1 0 324.856 2.554 20 70 DFIDRO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(OCC3CCOCC3)cc2)C1 ZINC000159413306 197351878 /nfs/dbraw/zinc/35/18/78/197351878.db2.gz MBVABOIMCRKTOD-LSDHHAIUSA-N 1 0 318.417 2.558 20 70 DFIDRO CCC[C@H](C(=O)Nc1nc(-c2cccnc2)cs1)[NH+](C)C ZINC000159365020 197347855 /nfs/dbraw/zinc/34/78/55/197347855.db2.gz RAJUERMFJPPKEN-CYBMUJFWSA-N 1 0 304.419 2.874 20 70 DFIDRO COc1ccc(Br)c(CN(C)[C@H](C[NH3+])C2CC2)c1 ZINC000160074966 197383546 /nfs/dbraw/zinc/38/35/46/197383546.db2.gz KMKDNYRDOCJICD-CQSZACIVSA-N 1 0 313.239 2.627 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000159454697 542718022 /nfs/dbraw/zinc/71/80/22/542718022.db2.gz PHMLPLQSKCRDBQ-BMIGLBTASA-N 1 0 322.792 2.898 20 70 DFIDRO Cc1nccc(NC(=O)NCCC2CC[NH+](C)CC2)c1Cl ZINC000159720158 542719379 /nfs/dbraw/zinc/71/93/79/542719379.db2.gz MQEUHPIFTCMWPD-UHFFFAOYSA-N 1 0 310.829 2.897 20 70 DFIDRO OCC[C@H]1CCCC[N@@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000159729651 542719571 /nfs/dbraw/zinc/71/95/71/542719571.db2.gz KNONSJRQJXOQCY-MJGOQNOKSA-N 1 0 319.445 2.981 20 70 DFIDRO Cc1ccccc1[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)[C@@H](C)CO1 ZINC000160410688 542722979 /nfs/dbraw/zinc/72/29/79/542722979.db2.gz YSULHJOOQZFDJM-SUMWQHHRSA-N 1 0 314.385 2.649 20 70 DFIDRO C[C@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)Cc1cccs1 ZINC000161096540 542727243 /nfs/dbraw/zinc/72/72/43/542727243.db2.gz KVSABWBLRNGTGS-GUYCJALGSA-N 1 0 314.454 2.930 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000161253468 542727818 /nfs/dbraw/zinc/72/78/18/542727818.db2.gz OCQTVMBXYIBIOM-GWCFXTLKSA-N 1 0 311.223 2.615 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCCOc2ccc(F)cc2F)C1 ZINC000161299380 542728406 /nfs/dbraw/zinc/72/84/06/542728406.db2.gz WBAVHZHNIKQWEO-QWHCGFSZSA-N 1 0 312.360 2.510 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(Oc2nccs2)c1 ZINC000161322457 542728553 /nfs/dbraw/zinc/72/85/53/542728553.db2.gz DLYWWTYYGPJNCW-CYBMUJFWSA-N 1 0 317.414 2.759 20 70 DFIDRO CC(C)(C)c1ccccc1OCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161342630 542728562 /nfs/dbraw/zinc/72/85/62/542728562.db2.gz FMKYQOOZJYCTCI-ZIAGYGMSSA-N 1 0 304.434 2.749 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCCOc2ccc(F)cc2F)C1 ZINC000161299645 542728821 /nfs/dbraw/zinc/72/88/21/542728821.db2.gz WBAVHZHNIKQWEO-OLZOCXBDSA-N 1 0 312.360 2.510 20 70 DFIDRO Cc1ccc2c(CC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)coc2c1C ZINC000161375808 542729359 /nfs/dbraw/zinc/72/93/59/542729359.db2.gz OCJUDIDFFGBGMT-HUUCEWRRSA-N 1 0 300.402 2.978 20 70 DFIDRO Cc1c(Br)cccc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160890882 542725438 /nfs/dbraw/zinc/72/54/38/542725438.db2.gz GEKPNZLZKZSRNR-QWRGUYRKSA-N 1 0 311.223 2.757 20 70 DFIDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@H](C)c2ccncc2)C1 ZINC000160810801 542725693 /nfs/dbraw/zinc/72/56/93/542725693.db2.gz QBTZGAZKFCOOIM-HOTGVXAUSA-N 1 0 303.450 2.766 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccccc2Oc2cccnc2)C1 ZINC000160999054 542725831 /nfs/dbraw/zinc/72/58/31/542725831.db2.gz XHCPYXOJTRQNHR-UONOGXRCSA-N 1 0 311.385 2.874 20 70 DFIDRO CCO[C@H]1C[C@H](N(C)C(=O)CC2([NH3+])CCC2)C12CCCCC2 ZINC000161022715 542726276 /nfs/dbraw/zinc/72/62/76/542726276.db2.gz XZOXXCSGHCDVAK-GJZGRUSLSA-N 1 0 308.466 2.844 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000161017156 542726332 /nfs/dbraw/zinc/72/63/32/542726332.db2.gz YVDZVGFRJRFLES-RYUDHWBXSA-N 1 0 317.216 2.758 20 70 DFIDRO C[C@H](CNC(=O)c1ccc(C[NH3+])o1)Oc1ccc(Cl)cc1 ZINC000161136152 542726904 /nfs/dbraw/zinc/72/69/04/542726904.db2.gz XUXKONFZCWJWKL-SNVBAGLBSA-N 1 0 308.765 2.589 20 70 DFIDRO CSC[C@@](C)(O)C[NH2+]Cc1cc(Br)ccc1F ZINC000217850271 146000735 /nfs/dbraw/zinc/00/07/35/146000735.db2.gz BINHGMLIFYDFPO-LBPRGKRZSA-N 1 0 322.243 2.792 20 70 DFIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000159498629 286804783 /nfs/dbraw/zinc/80/47/83/286804783.db2.gz CFKNETXCCHXZBR-SFYZADRCSA-N 1 0 320.277 2.703 20 70 DFIDRO Cc1nc(C)c(C[N@@H+]2CCCN(Cc3cscn3)CC2)s1 ZINC000160394034 267538308 /nfs/dbraw/zinc/53/83/08/267538308.db2.gz JNQCKXYKHTVPLI-UHFFFAOYSA-N 1 0 322.503 2.924 20 70 DFIDRO CCCCn1ncc(C(=O)NC2CC[NH+](CC(C)C)CC2)c1C ZINC000161192490 267545586 /nfs/dbraw/zinc/54/55/86/267545586.db2.gz TZDBIRYYKRJKOW-UHFFFAOYSA-N 1 0 320.481 2.842 20 70 DFIDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000161350841 267547123 /nfs/dbraw/zinc/54/71/23/267547123.db2.gz ZJJGRKLKJQTAFM-YUMQZZPRSA-N 1 0 303.175 2.503 20 70 DFIDRO COc1ccccc1C[C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C ZINC000218118950 268139556 /nfs/dbraw/zinc/13/95/56/268139556.db2.gz UWPUYFGREGSJCA-CYBMUJFWSA-N 1 0 308.422 2.741 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCSc1ccccn1 ZINC000160370771 425980940 /nfs/dbraw/zinc/98/09/40/425980940.db2.gz RSRGOYCBNUALFB-OAHLLOKOSA-N 1 0 321.490 2.800 20 70 DFIDRO C[C@@H]1CCO[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000160376703 425980947 /nfs/dbraw/zinc/98/09/47/425980947.db2.gz LLBHBHLQNMJRHD-QAPCUYQASA-N 1 0 316.445 2.534 20 70 DFIDRO [NH3+][C@H]1CCCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000160380375 425981030 /nfs/dbraw/zinc/98/10/30/425981030.db2.gz AZRDPYLYBWXRQJ-LBPRGKRZSA-N 1 0 320.234 2.920 20 70 DFIDRO CC(C)[NH+]1CCC(NC(=O)Cc2ccc(O)cc2Cl)CC1 ZINC000160418686 425982200 /nfs/dbraw/zinc/98/22/00/425982200.db2.gz MMOSOCIFNRIUQY-UHFFFAOYSA-N 1 0 310.825 2.577 20 70 DFIDRO Cc1ccc([C@H](CNC(=O)NC2(C)CCC2)[NH+]2CCCC2)o1 ZINC000160449781 425982707 /nfs/dbraw/zinc/98/27/07/425982707.db2.gz KVMDFEALBPAWTD-AWEZNQCLSA-N 1 0 305.422 2.967 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1nc(-c2ccco2)sc1C ZINC000160450989 425982877 /nfs/dbraw/zinc/98/28/77/425982877.db2.gz YGTXPQQPTONFTQ-UHFFFAOYSA-N 1 0 307.419 2.959 20 70 DFIDRO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000160455317 425983314 /nfs/dbraw/zinc/98/33/14/425983314.db2.gz NPDMRKAHMFOHHY-CQSZACIVSA-N 1 0 318.465 2.921 20 70 DFIDRO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1OC ZINC000160455856 425983334 /nfs/dbraw/zinc/98/33/34/425983334.db2.gz YPPLLKLRSLSKJL-OAHLLOKOSA-N 1 0 320.433 2.554 20 70 DFIDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cnn(C)c1 ZINC000160489868 425984074 /nfs/dbraw/zinc/98/40/74/425984074.db2.gz RLVHLAHTFIGVLX-HNNXBMFYSA-N 1 0 313.449 2.902 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)COc2ccccc2-c2ccccc2)C1 ZINC000160507277 425985156 /nfs/dbraw/zinc/98/51/56/425985156.db2.gz HYISHNLJMCCLJX-INIZCTEOSA-N 1 0 310.397 2.553 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000160503920 425985177 /nfs/dbraw/zinc/98/51/77/425985177.db2.gz RUVOHZXHOXUWFM-BFHYXJOUSA-N 1 0 313.228 2.917 20 70 DFIDRO CC(C)N(C(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)C(C)C ZINC000160528025 425985185 /nfs/dbraw/zinc/98/51/85/425985185.db2.gz MOGULLWSQXXFGN-LZLYRXPVSA-N 1 0 310.482 2.647 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(F)c(Br)c1 ZINC000160535012 425986544 /nfs/dbraw/zinc/98/65/44/425986544.db2.gz UFALOLICMLGIQG-UHFFFAOYSA-N 1 0 317.202 2.836 20 70 DFIDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000160542127 425986742 /nfs/dbraw/zinc/98/67/42/425986742.db2.gz LEPGUQHJADUNEC-DNVCBOLYSA-N 1 0 318.461 2.805 20 70 DFIDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC(=O)NCC(F)(F)F ZINC000160575974 425987408 /nfs/dbraw/zinc/98/74/08/425987408.db2.gz KBFAVXDVOLRZPE-ZDUSSCGKSA-N 1 0 320.330 2.661 20 70 DFIDRO CC(C)[N@H+](CCOCC1CC1)CC(=O)Nc1ccc(F)cc1 ZINC000160574760 425987476 /nfs/dbraw/zinc/98/74/76/425987476.db2.gz RSWIAVNCFGUCAD-UHFFFAOYSA-N 1 0 308.397 2.901 20 70 DFIDRO O=C(C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)NCC(F)(F)F ZINC000160556380 425987564 /nfs/dbraw/zinc/98/75/64/425987564.db2.gz JCWMOYHGLNGYJG-QWHCGFSZSA-N 1 0 300.324 2.591 20 70 DFIDRO CN(Cc1cccn1C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160553049 425987653 /nfs/dbraw/zinc/98/76/53/425987653.db2.gz JFLWPIHOARCMTI-GOSISDBHSA-N 1 0 311.429 2.648 20 70 DFIDRO CC(C)C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000160559728 425988070 /nfs/dbraw/zinc/98/80/70/425988070.db2.gz BROFNMWPUYGPQN-JKSUJKDBSA-N 1 0 324.852 2.922 20 70 DFIDRO COCCCOC1CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC000160588672 425988475 /nfs/dbraw/zinc/98/84/75/425988475.db2.gz ZJELZGMUTZFSIM-UHFFFAOYSA-N 1 0 317.433 2.660 20 70 DFIDRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1NC(C)=O ZINC000160591612 425988610 /nfs/dbraw/zinc/98/86/10/425988610.db2.gz OFNIFZVBCSYNIE-NUTKFTJISA-N 1 0 320.433 2.855 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(C3SCCS3)cc2)C1 ZINC000160608608 425989640 /nfs/dbraw/zinc/98/96/40/425989640.db2.gz ZFKPYFGMJYRGSF-CYBMUJFWSA-N 1 0 308.472 2.599 20 70 DFIDRO C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccco1 ZINC000160623233 425990039 /nfs/dbraw/zinc/99/00/39/425990039.db2.gz DIMDOYXALMTDGR-HNNXBMFYSA-N 1 0 300.402 2.963 20 70 DFIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000160645342 425990874 /nfs/dbraw/zinc/99/08/74/425990874.db2.gz RMIKKBLTRHYMQY-AWEZNQCLSA-N 1 0 304.434 2.731 20 70 DFIDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)c(OC)c1)c1cnn(C)c1 ZINC000160639583 425991261 /nfs/dbraw/zinc/99/12/61/425991261.db2.gz SUWAHYOJGPKNGI-AWEZNQCLSA-N 1 0 319.405 2.687 20 70 DFIDRO Cc1c(C[NH2+]Cc2cc(F)cc(Br)c2)cnn1C ZINC000160683684 425991859 /nfs/dbraw/zinc/99/18/59/425991859.db2.gz HZKPGYMNEQHSMJ-UHFFFAOYSA-N 1 0 312.186 2.920 20 70 DFIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CC(=O)Nc2ccccc21 ZINC000160731911 425994601 /nfs/dbraw/zinc/99/46/01/425994601.db2.gz BYQUFDXOCJQFPP-DOMZBBRYSA-N 1 0 310.401 2.513 20 70 DFIDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160774562 425995837 /nfs/dbraw/zinc/99/58/37/425995837.db2.gz BIVXLHGUCWPBIK-RHSMWYFYSA-N 1 0 320.389 2.601 20 70 DFIDRO C#CCCCCNC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000160847594 425997491 /nfs/dbraw/zinc/99/74/91/425997491.db2.gz DLWVFTQQIOWWNG-MRXNPFEDSA-N 1 0 313.445 2.536 20 70 DFIDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000160843966 425998095 /nfs/dbraw/zinc/99/80/95/425998095.db2.gz KREUHRWHRHRPMC-UHFFFAOYSA-N 1 0 318.396 2.939 20 70 DFIDRO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160864176 425998584 /nfs/dbraw/zinc/99/85/84/425998584.db2.gz OTJKRHLJUBHHSK-CABCVRRESA-N 1 0 314.433 2.778 20 70 DFIDRO CC(C)[C@H]([NH3+])C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000160862123 425999025 /nfs/dbraw/zinc/99/90/25/425999025.db2.gz ULRGXOJFEKVAIB-QKKBWIMNSA-N 1 0 310.463 2.656 20 70 DFIDRO Cc1ccc(C(=O)CC[NH2+][C@@]2(CO)CCc3ccccc32)cc1 ZINC000160896269 426000427 /nfs/dbraw/zinc/00/04/27/426000427.db2.gz MVYXSNQHXFHNLD-HXUWFJFHSA-N 1 0 309.409 2.991 20 70 DFIDRO CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccc(F)cc1F ZINC000160912424 426001530 /nfs/dbraw/zinc/00/15/30/426001530.db2.gz AWZISMKUPUFSRQ-RHSMWYFYSA-N 1 0 310.388 2.869 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)NCC[N@H+](C)C2CCCC2)n1 ZINC000160920663 426001609 /nfs/dbraw/zinc/00/16/09/426001609.db2.gz SJMTZHFGCWMAOD-UHFFFAOYSA-N 1 0 321.469 2.925 20 70 DFIDRO COc1cc(C)cc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000160907043 426001690 /nfs/dbraw/zinc/00/16/90/426001690.db2.gz CKODOKGUKYZQJM-JKSUJKDBSA-N 1 0 319.449 2.676 20 70 DFIDRO CC(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000160907928 426002111 /nfs/dbraw/zinc/00/21/11/426002111.db2.gz HBWWXVHAFSRAII-WMLDXEAASA-N 1 0 320.433 2.535 20 70 DFIDRO CCOCCN(CC)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160936671 426002183 /nfs/dbraw/zinc/00/21/83/426002183.db2.gz ADSMLYJJMVJOJU-INIZCTEOSA-N 1 0 313.486 2.565 20 70 DFIDRO CCOCCC1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCC1 ZINC000160958587 426002643 /nfs/dbraw/zinc/00/26/43/426002643.db2.gz XGLSGMHNCFJOLB-MRXNPFEDSA-N 1 0 310.482 2.964 20 70 DFIDRO CC(C)[NH+](CCSCC(=O)NCc1cccnc1)C(C)C ZINC000160959002 426003076 /nfs/dbraw/zinc/00/30/76/426003076.db2.gz SLAWUPZDPVMCDQ-UHFFFAOYSA-N 1 0 309.479 2.550 20 70 DFIDRO OCC[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000160963509 426003197 /nfs/dbraw/zinc/00/31/97/426003197.db2.gz UUCXXQNPXRWLHO-OAHLLOKOSA-N 1 0 316.367 2.726 20 70 DFIDRO CCOCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160988447 426003815 /nfs/dbraw/zinc/00/38/15/426003815.db2.gz GGDCRMMISVIAKX-UONOGXRCSA-N 1 0 303.324 2.850 20 70 DFIDRO COC(=O)C1([N@H+](C)CCCCCn2cc(C)cn2)CCCC1 ZINC000159362617 425959101 /nfs/dbraw/zinc/95/91/01/425959101.db2.gz FIYYBZISSNIXAR-UHFFFAOYSA-N 1 0 307.438 2.779 20 70 DFIDRO O=C(c1cncc(F)c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000159388867 425959133 /nfs/dbraw/zinc/95/91/33/425959133.db2.gz JLQHPZNXXKOPDN-MRXNPFEDSA-N 1 0 311.360 2.846 20 70 DFIDRO CC[C@@H](C)OCC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000159395191 425959370 /nfs/dbraw/zinc/95/93/70/425959370.db2.gz UAHQMADVXBIYLP-CQSZACIVSA-N 1 0 322.424 2.721 20 70 DFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000159551990 425963133 /nfs/dbraw/zinc/96/31/33/425963133.db2.gz IHUHSGYFXHKZIJ-DGCLKSJQSA-N 1 0 307.463 2.887 20 70 DFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000159592363 425963269 /nfs/dbraw/zinc/96/32/69/425963269.db2.gz OXNUPJALVYJUNO-OCCSQVGLSA-N 1 0 315.442 2.896 20 70 DFIDRO CCc1noc(CC)c1CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000159643578 425964011 /nfs/dbraw/zinc/96/40/11/425964011.db2.gz LUCOFTDBMUDEBC-UHFFFAOYSA-N 1 0 321.465 2.771 20 70 DFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000159627470 425964628 /nfs/dbraw/zinc/96/46/28/425964628.db2.gz ABVVRQQJPPITMH-WMLDXEAASA-N 1 0 309.413 2.834 20 70 DFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000159627226 425964635 /nfs/dbraw/zinc/96/46/35/425964635.db2.gz ABVVRQQJPPITMH-YOEHRIQHSA-N 1 0 309.413 2.834 20 70 DFIDRO COC(=O)C1(c2ccccc2)CC[NH+](CCOCC2CC2)CC1 ZINC000159640856 425964836 /nfs/dbraw/zinc/96/48/36/425964836.db2.gz IVUWYJHDTIGMJB-UHFFFAOYSA-N 1 0 317.429 2.620 20 70 DFIDRO O=C(Cc1ccc(F)cc1F)NCC[NH2+]C1CCCCCC1 ZINC000159697817 425965419 /nfs/dbraw/zinc/96/54/19/425965419.db2.gz BMTDLGFXRHPLCW-UHFFFAOYSA-N 1 0 310.388 2.936 20 70 DFIDRO CCCOc1cccc(CCNC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC000159741975 425966147 /nfs/dbraw/zinc/96/61/47/425966147.db2.gz LPNGJWAGGGGDNH-KRWDZBQOSA-N 1 0 306.450 2.720 20 70 DFIDRO CCC[NH+]1CCC(NC(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000159749317 425966258 /nfs/dbraw/zinc/96/62/58/425966258.db2.gz SUXDDHORCRXWQM-CQSZACIVSA-N 1 0 323.462 2.599 20 70 DFIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000159795113 425967448 /nfs/dbraw/zinc/96/74/48/425967448.db2.gz CMXOCWHGKJOZAE-FGTMMUONSA-N 1 0 315.461 2.696 20 70 DFIDRO CCCNC(=O)[C@@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000159874287 425968462 /nfs/dbraw/zinc/96/84/62/425968462.db2.gz ZCOCVJOXYAPLAM-QGZVFWFLSA-N 1 0 318.461 2.866 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2cc(C)cc(C)c2)CC1 ZINC000159895141 425969810 /nfs/dbraw/zinc/96/98/10/425969810.db2.gz YQMFBQNVSMBODY-UHFFFAOYSA-N 1 0 303.450 2.583 20 70 DFIDRO C[C@H]1C[C@@H](NC(=O)N(C)CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000159893118 425970851 /nfs/dbraw/zinc/97/08/51/425970851.db2.gz OSHSTDKUCXAMAL-WMLDXEAASA-N 1 0 301.434 2.701 20 70 DFIDRO CC[C@H](C)N(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159954835 425972218 /nfs/dbraw/zinc/97/22/18/425972218.db2.gz VBKDSDCRIPMLSI-ZOBUZTSGSA-N 1 0 303.450 2.947 20 70 DFIDRO COC[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)C(C)C ZINC000160022329 425972802 /nfs/dbraw/zinc/97/28/02/425972802.db2.gz FDHBICYPLCFCFY-AWEZNQCLSA-N 1 0 310.404 2.911 20 70 DFIDRO CCCCNC(=O)c1ccc(C[NH2+][C@H](COC)C2CC2)cc1 ZINC000160119569 425974952 /nfs/dbraw/zinc/97/49/52/425974952.db2.gz RKFAPSRNSCSBTC-QGZVFWFLSA-N 1 0 304.434 2.731 20 70 DFIDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCOC1 ZINC000160137228 425975634 /nfs/dbraw/zinc/97/56/34/425975634.db2.gz UOACFXBFYYPYPH-NUEKZKHPSA-N 1 0 317.408 2.681 20 70 DFIDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCSC3)C2)c(F)c1 ZINC000160130002 425975761 /nfs/dbraw/zinc/97/57/61/425975761.db2.gz TVPKMEINXUADOS-UONOGXRCSA-N 1 0 305.422 2.761 20 70 DFIDRO CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H](C)CC#N)cc1 ZINC000160129156 425975810 /nfs/dbraw/zinc/97/58/10/425975810.db2.gz IOBVXOCRXYNPOK-CQSZACIVSA-N 1 0 318.421 2.831 20 70 DFIDRO OCc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000160190073 425976169 /nfs/dbraw/zinc/97/61/69/425976169.db2.gz XDSMTVNCPWJXSZ-OAHLLOKOSA-N 1 0 317.385 2.659 20 70 DFIDRO C[NH+](C)CCCN(CCC#N)C(=O)C1CCC(F)(F)CC1 ZINC000160242091 425977424 /nfs/dbraw/zinc/97/74/24/425977424.db2.gz YURZBHHUQUIERD-UHFFFAOYSA-N 1 0 301.381 2.506 20 70 DFIDRO CC[C@H]([NH2+][C@@H](CCO)CSC)c1ccc2c(c1)OCCO2 ZINC000160226709 425977675 /nfs/dbraw/zinc/97/76/75/425977675.db2.gz AAEQLMMGGLINOC-KBPBESRZSA-N 1 0 311.447 2.613 20 70 DFIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000160238547 425977708 /nfs/dbraw/zinc/97/77/08/425977708.db2.gz KSJZGSNXHBBQQJ-RISCZKNCSA-N 1 0 313.323 2.530 20 70 DFIDRO CCOC(=O)[C@H]1CCC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000160279263 425978023 /nfs/dbraw/zinc/97/80/23/425978023.db2.gz HISJGJXNEFXEPE-INIZCTEOSA-N 1 0 322.424 2.533 20 70 DFIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)c1ccc(OC)cc1 ZINC000161389037 426022538 /nfs/dbraw/zinc/02/25/38/426022538.db2.gz MXNCCCSUASEEOL-CQSZACIVSA-N 1 0 306.450 2.819 20 70 DFIDRO CO[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000161409168 426023583 /nfs/dbraw/zinc/02/35/83/426023583.db2.gz UPDLQFYPQLXJKO-QEJZJMRPSA-N 1 0 310.825 2.661 20 70 DFIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000161412393 426023591 /nfs/dbraw/zinc/02/35/91/426023591.db2.gz LCXPWYBWHVDQAA-CABZTGNLSA-N 1 0 300.324 2.562 20 70 DFIDRO CN(CCC[NH+]1CCCCC1)Cc1ccc([S@@](C)=O)cc1 ZINC000161433392 426023818 /nfs/dbraw/zinc/02/38/18/426023818.db2.gz DSNJWYZHHZWMOO-NRFANRHFSA-N 1 0 308.491 2.732 20 70 DFIDRO COc1ccccc1[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000161438892 426024316 /nfs/dbraw/zinc/02/43/16/426024316.db2.gz TVRIYOBGCOASNV-CRAIPNDOSA-N 1 0 310.397 2.711 20 70 DFIDRO CCCOc1cccc(CCNC(=O)[C@H](CCC)[NH+](C)C)c1 ZINC000161449067 426024703 /nfs/dbraw/zinc/02/47/03/426024703.db2.gz VZLXRDJJIQCBSC-KRWDZBQOSA-N 1 0 306.450 2.864 20 70 DFIDRO CC[C@](C)(O)C[N@H+](C)CCCOc1cc(OC)cc(OC)c1 ZINC000161503307 426026094 /nfs/dbraw/zinc/02/60/94/426026094.db2.gz KNCUFUBNNSYZDP-KRWDZBQOSA-N 1 0 311.422 2.566 20 70 DFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCCC2(C)C)c1 ZINC000161500357 426026220 /nfs/dbraw/zinc/02/62/20/426026220.db2.gz FOQXXBFZTWGMJZ-WFASDCNBSA-N 1 0 310.463 2.824 20 70 DFIDRO C[C@H]1CN(Cc2ccc(Br)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000161500652 426026623 /nfs/dbraw/zinc/02/66/23/426026623.db2.gz MVBCLJHBHQJSQM-UWVGGRQHSA-N 1 0 301.203 2.770 20 70 DFIDRO COc1ccc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)cc1F ZINC000161044554 426006681 /nfs/dbraw/zinc/00/66/81/426006681.db2.gz UBYIAWJBVGGCKU-CYBMUJFWSA-N 1 0 319.380 2.980 20 70 DFIDRO CC[C@H](COC)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000161044233 426007067 /nfs/dbraw/zinc/00/70/67/426007067.db2.gz XVMXILLXGRVCAS-MRXNPFEDSA-N 1 0 304.434 2.614 20 70 DFIDRO CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C12CCCC2 ZINC000161112920 426008774 /nfs/dbraw/zinc/00/87/74/426008774.db2.gz FNQAILMXXKHICU-HZPDHXFCSA-N 1 0 302.418 2.613 20 70 DFIDRO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161119731 426008901 /nfs/dbraw/zinc/00/89/01/426008901.db2.gz JCMVBUMSOVSTGU-FRQCXROJSA-N 1 0 316.445 2.949 20 70 DFIDRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)[C@H]([NH3+])C(C)C)cc1 ZINC000161102936 426009032 /nfs/dbraw/zinc/00/90/32/426009032.db2.gz GQZABGWISMJXBU-GVDBMIGSSA-N 1 0 304.434 2.562 20 70 DFIDRO Cc1nn(C)cc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000161140037 426009658 /nfs/dbraw/zinc/00/96/58/426009658.db2.gz ZJJVZDRBJWJJES-UHFFFAOYSA-N 1 0 300.450 2.859 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000161129230 426009735 /nfs/dbraw/zinc/00/97/35/426009735.db2.gz TVVUYSQHKYERFL-HNNXBMFYSA-N 1 0 324.515 2.927 20 70 DFIDRO O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CC[NH+](CC2CC2)CC1 ZINC000161130294 426009954 /nfs/dbraw/zinc/00/99/54/426009954.db2.gz CCCKCDYTENXZDT-HUUCEWRRSA-N 1 0 320.383 2.623 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)c2c(Cl)cccc2OC)CC1 ZINC000161130875 426010328 /nfs/dbraw/zinc/01/03/28/426010328.db2.gz STRKUATWLDEOSR-UHFFFAOYSA-N 1 0 310.825 2.810 20 70 DFIDRO C[N@H+](CCc1ccccn1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161145643 426010546 /nfs/dbraw/zinc/01/05/46/426010546.db2.gz FJNFOLFWNITVOG-UHFFFAOYSA-N 1 0 317.477 2.841 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N(C)CC(C)C)cc1 ZINC000161200796 426012764 /nfs/dbraw/zinc/01/27/64/426012764.db2.gz BFUZJZBLKTYZQQ-QGZVFWFLSA-N 1 0 303.450 2.603 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Oc1cccc(C(C)C)c1 ZINC000161190487 426012886 /nfs/dbraw/zinc/01/28/86/426012886.db2.gz NYXCQWMZBKYWBT-GDBMZVCRSA-N 1 0 304.434 2.788 20 70 DFIDRO CCCCn1ncc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1C ZINC000161186415 426013088 /nfs/dbraw/zinc/01/30/88/426013088.db2.gz GRTWZGHOSYFLTM-UHFFFAOYSA-N 1 0 318.465 2.692 20 70 DFIDRO CCC[C@@H](C(=O)Nc1ccc(NC(=O)C(C)C)cc1)[NH+](C)C ZINC000161233365 426013286 /nfs/dbraw/zinc/01/32/86/426013286.db2.gz NZUMQERQJACBIS-HNNXBMFYSA-N 1 0 305.422 2.950 20 70 DFIDRO CCC[N@H+](CCO)Cc1ccccc1OCc1cccnc1 ZINC000161223796 426013412 /nfs/dbraw/zinc/01/34/12/426013412.db2.gz LQZBEXAZUNGCSV-UHFFFAOYSA-N 1 0 300.402 2.865 20 70 DFIDRO C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(=O)NCc1ccccc1 ZINC000161210579 426013851 /nfs/dbraw/zinc/01/38/51/426013851.db2.gz BMFPLUPDQIXJNP-DZGCQCFKSA-N 1 0 304.434 2.627 20 70 DFIDRO COc1ccc(C(C)(C)C(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000161242044 426014888 /nfs/dbraw/zinc/01/48/88/426014888.db2.gz GYWRFXLGSXYCPA-UHFFFAOYSA-N 1 0 316.445 2.716 20 70 DFIDRO CCCCOc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1OC ZINC000161270518 426015757 /nfs/dbraw/zinc/01/57/57/426015757.db2.gz LALMIFFDTODEIL-HNNXBMFYSA-N 1 0 320.433 2.698 20 70 DFIDRO CCn1cnnc1[C@H]1CCCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000161272749 426016123 /nfs/dbraw/zinc/01/61/23/426016123.db2.gz ZLKCANUWTQDYQB-ZDUSSCGKSA-N 1 0 317.437 2.963 20 70 DFIDRO Cc1c(C[NH2+]Cc2ccc(Br)c(F)c2)cnn1C ZINC000161321005 426018319 /nfs/dbraw/zinc/01/83/19/426018319.db2.gz QHCLGBXLTGTCIT-UHFFFAOYSA-N 1 0 312.186 2.920 20 70 DFIDRO COC(=O)C1=NOC2(C1)CC[NH+]([C@@H](C)c1ccccc1C)CC2 ZINC000161302618 426018554 /nfs/dbraw/zinc/01/85/54/426018554.db2.gz WWNJOUBPBMDCLT-AWEZNQCLSA-N 1 0 316.401 2.840 20 70 DFIDRO Cc1csc([C@H]2CN(CCC[NH+]3CCCCC3)CCO2)n1 ZINC000161308938 426018974 /nfs/dbraw/zinc/01/89/74/426018974.db2.gz VDLHTRJAVQUIEL-OAHLLOKOSA-N 1 0 309.479 2.701 20 70 DFIDRO COCC[NH+]1CCC(NC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000161346255 426019581 /nfs/dbraw/zinc/01/95/81/426019581.db2.gz XQZVYGNQQCPERR-HNNXBMFYSA-N 1 0 310.482 2.820 20 70 DFIDRO Cc1c(NC(=O)N(C)CC[NH+]2CCCC2)cnn1CCC(C)C ZINC000161343772 426019821 /nfs/dbraw/zinc/01/98/21/426019821.db2.gz RFNQEFFBZYACKL-UHFFFAOYSA-N 1 0 321.469 2.797 20 70 DFIDRO C=C(Br)C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000161371326 426020727 /nfs/dbraw/zinc/02/07/27/426020727.db2.gz VLJHXTMHUMSBJK-UHFFFAOYSA-N 1 0 305.216 2.540 20 70 DFIDRO C[C@H]1Cc2ccccc2N1CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161369399 426020885 /nfs/dbraw/zinc/02/08/85/426020885.db2.gz SIWYEVTVGJIKOS-HNNXBMFYSA-N 1 0 316.445 2.713 20 70 DFIDRO C[C@@H]([NH2+]Cc1ncc[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249061 426568353 /nfs/dbraw/zinc/56/83/53/426568353.db2.gz LGUUGDGPLJCSKU-CHWSQXEVSA-N 1 0 308.426 2.535 20 70 DFIDRO CCC[C@@H](O)C[NH2+]Cc1ccc(I)cc1 ZINC000217913236 426564624 /nfs/dbraw/zinc/56/46/24/426564624.db2.gz NZTHZLZFZROTQS-GFCCVEGCSA-N 1 0 319.186 2.542 20 70 DFIDRO Cc1cccc([C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)c2ccccn2)c1 ZINC000160212216 271079790 /nfs/dbraw/zinc/07/97/90/271079790.db2.gz NVPDJYJJXUJURW-ZWKOTPCHSA-N 1 0 309.413 2.690 20 70 DFIDRO Cc1cccc([C@H](NC(=O)[C@H]2CCC[N@H+]2C)c2ccccn2)c1 ZINC000160212351 271079985 /nfs/dbraw/zinc/07/99/85/271079985.db2.gz NVPDJYJJXUJURW-MSOLQXFVSA-N 1 0 309.413 2.690 20 70 DFIDRO CN(C(=O)Nc1ccccc1C(F)(F)F)[C@@H](C[NH3+])C1CC1 ZINC000159904289 273785749 /nfs/dbraw/zinc/78/57/49/273785749.db2.gz PCCPYJMKEJCCOE-LBPRGKRZSA-N 1 0 301.312 2.906 20 70 DFIDRO CC(C)[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)[NH+](C)C ZINC000159985899 275695187 /nfs/dbraw/zinc/69/51/87/275695187.db2.gz PSBJPSODEYEIMV-GDBMZVCRSA-N 1 0 304.434 2.991 20 70 DFIDRO CCOCCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000159582080 276315018 /nfs/dbraw/zinc/31/50/18/276315018.db2.gz ZWMYKXNIRGSSPK-UHFFFAOYSA-N 1 0 324.852 2.915 20 70 DFIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cc(F)ccc1F ZINC000160387800 276534985 /nfs/dbraw/zinc/53/49/85/276534985.db2.gz HPKNLQAZHJKKQT-SWLSCSKDSA-N 1 0 306.360 2.920 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)COc1cc(C)ccc1C(C)C ZINC000161213544 277027072 /nfs/dbraw/zinc/02/70/72/277027072.db2.gz PDQKFKWMARRMCE-HNNXBMFYSA-N 1 0 304.434 2.708 20 70 DFIDRO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161096605 278205753 /nfs/dbraw/zinc/20/57/53/278205753.db2.gz DXFCFIXSPUNRJQ-OEAVDUQXSA-N 1 0 322.493 2.697 20 70 DFIDRO Cc1n[nH]c(C)c1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160207395 279054687 /nfs/dbraw/zinc/05/46/87/279054687.db2.gz WUNFTUSHYDASMQ-INIZCTEOSA-N 1 0 315.417 2.913 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000159511986 279287039 /nfs/dbraw/zinc/28/70/39/279287039.db2.gz DYOGBAUAKMRRAS-KRWDZBQOSA-N 1 0 301.434 2.801 20 70 DFIDRO C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000159837569 279925149 /nfs/dbraw/zinc/92/51/49/279925149.db2.gz ZTYSHPYFWHOZKA-ZENOOKHLSA-N 1 0 322.836 2.628 20 70 DFIDRO C[C@H]1SCCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000161184307 280088691 /nfs/dbraw/zinc/08/86/91/280088691.db2.gz PUSZWFNUXVJLNL-BMFZPTHFSA-N 1 0 304.459 2.691 20 70 DFIDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccn1 ZINC000159361163 295375716 /nfs/dbraw/zinc/37/57/16/295375716.db2.gz HIPDXQBKQFRQDG-SJLPKXTDSA-N 1 0 323.440 2.966 20 70 DFIDRO CC[C@H](Oc1cccc(C)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159398421 295376111 /nfs/dbraw/zinc/37/61/11/295376111.db2.gz ULYLZXBAFRXOKV-UXLLHSPISA-N 1 0 302.418 2.505 20 70 DFIDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000159405590 295376355 /nfs/dbraw/zinc/37/63/55/295376355.db2.gz UECUXXVEPPTEEG-AEFFLSMTSA-N 1 0 312.498 2.944 20 70 DFIDRO CCC[N@H+](CC)CCNC(=O)N(C)[C@H](C)Cc1ccc(O)cc1 ZINC000159412047 295376447 /nfs/dbraw/zinc/37/64/47/295376447.db2.gz PBDBRWOJGWAXAO-OAHLLOKOSA-N 1 0 321.465 2.697 20 70 DFIDRO Cc1ccc(C[C@@H](C)NC(=O)NC[C@H]2CCC[N@H+](C)C2)s1 ZINC000159451481 295377017 /nfs/dbraw/zinc/37/70/17/295377017.db2.gz DUMRDKYZPNKQMZ-TZMCWYRMSA-N 1 0 309.479 2.629 20 70 DFIDRO COc1cc(C)cc(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000159612310 295378832 /nfs/dbraw/zinc/37/88/32/295378832.db2.gz DVJUSENBVZKSKX-OAHLLOKOSA-N 1 0 319.449 2.677 20 70 DFIDRO CCC(CC)(C[NH2+]CCOc1ccc(C#N)cc1)C(=O)OC ZINC000159679773 295380175 /nfs/dbraw/zinc/38/01/75/295380175.db2.gz CRIVRQIKOYXLBV-UHFFFAOYSA-N 1 0 304.390 2.506 20 70 DFIDRO O=c1[nH]c2ccccc2cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159676655 295380264 /nfs/dbraw/zinc/38/02/64/295380264.db2.gz LDHZOPISOQHOER-OIISXLGYSA-N 1 0 310.397 2.988 20 70 DFIDRO CCC(CC)(C[NH2+]Cc1cccc(C(=O)OC)c1)C(=O)OC ZINC000159674338 295380367 /nfs/dbraw/zinc/38/03/67/295380367.db2.gz BNKXGPAVHXPMDO-UHFFFAOYSA-N 1 0 307.390 2.542 20 70 DFIDRO COCCC1(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000159673700 295380413 /nfs/dbraw/zinc/38/04/13/295380413.db2.gz OFYBHDZKWYMNQK-GJZGRUSLSA-N 1 0 310.482 2.676 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)Cc1cccc(C(N)=O)c1 ZINC000159810218 295382185 /nfs/dbraw/zinc/38/21/85/295382185.db2.gz UTBGFEYYOMWGQT-UHFFFAOYSA-N 1 0 303.431 2.695 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N1CCCC[C@@H]1C ZINC000159861689 295383235 /nfs/dbraw/zinc/38/32/35/295383235.db2.gz DXHCTCLCGRMZDG-AWEZNQCLSA-N 1 0 309.479 2.797 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000159919166 295383732 /nfs/dbraw/zinc/38/37/32/295383732.db2.gz NZORCWZANJEQRW-HUUCEWRRSA-N 1 0 323.506 2.901 20 70 DFIDRO C[NH+](C)CCN(Cc1ccco1)c1nc(C(C)(C)C)ns1 ZINC000159964509 295384478 /nfs/dbraw/zinc/38/44/78/295384478.db2.gz YJENNGLOLWWMGT-UHFFFAOYSA-N 1 0 308.451 2.997 20 70 DFIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000160109292 295386625 /nfs/dbraw/zinc/38/66/25/295386625.db2.gz FDIMEFNTVQUZSU-ZDUSSCGKSA-N 1 0 317.408 2.840 20 70 DFIDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000160253622 295388936 /nfs/dbraw/zinc/38/89/36/295388936.db2.gz BBIFWDJEJBOFGP-ZDUSSCGKSA-N 1 0 317.408 2.840 20 70 DFIDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160473530 295391516 /nfs/dbraw/zinc/39/15/16/295391516.db2.gz ADBFIZHDJIMKNU-INMHGKMJSA-N 1 0 304.434 2.853 20 70 DFIDRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160471535 295391644 /nfs/dbraw/zinc/39/16/44/295391644.db2.gz MSKDNGNFBXXGOM-IOASZLSFSA-N 1 0 308.397 2.684 20 70 DFIDRO CC[C@H]1CN(C(=O)C2CCC(C)(C)CC2)CC[N@@H+]1CCOC ZINC000160502534 295392075 /nfs/dbraw/zinc/39/20/75/295392075.db2.gz CWYHNVGTOOACHR-INIZCTEOSA-N 1 0 310.482 2.772 20 70 DFIDRO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000160582251 295392827 /nfs/dbraw/zinc/39/28/27/295392827.db2.gz UAIONNJGUJKZRR-VBQJREDUSA-N 1 0 320.433 2.553 20 70 DFIDRO CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160582124 295393143 /nfs/dbraw/zinc/39/31/43/295393143.db2.gz UFDYPBSFWHLSGY-OOCSTFOJSA-N 1 0 302.418 2.697 20 70 DFIDRO CC[C@H](O)CC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000160603780 295393377 /nfs/dbraw/zinc/39/33/77/295393377.db2.gz VDDVOTLILGACTI-KKUMJFAQSA-N 1 0 314.470 2.915 20 70 DFIDRO CCc1cc(=O)[nH]c(CN(C)CCCOc2ccccc2)n1 ZINC000160809927 295395376 /nfs/dbraw/zinc/39/53/76/295395376.db2.gz YRAWCXLPCDABSF-UHFFFAOYSA-N 1 0 301.390 2.646 20 70 DFIDRO CC(C)[C@H]1OCC[C@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000160792784 295395518 /nfs/dbraw/zinc/39/55/18/295395518.db2.gz CSPWTQSCVXCDCL-GXTWGEPZSA-N 1 0 308.388 2.664 20 70 DFIDRO O=C(NCCc1cn2ccccc2n1)c1nc2ccccc2s1 ZINC000160819923 295395664 /nfs/dbraw/zinc/39/56/64/295395664.db2.gz ADFVQTPLMBHAJE-UHFFFAOYSA-N 1 0 322.393 2.917 20 70 DFIDRO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](CCC)[NH+](C)C)CC1 ZINC000160990996 295397307 /nfs/dbraw/zinc/39/73/07/295397307.db2.gz QXNRXRUOLHKSIE-QGZVFWFLSA-N 1 0 311.514 2.687 20 70 DFIDRO CC(C)n1cccc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000161073175 295398087 /nfs/dbraw/zinc/39/80/87/295398087.db2.gz OMEXZEZIMWUJIA-QGZVFWFLSA-N 1 0 313.445 2.972 20 70 DFIDRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)CC[NH2+]C(C)C)cc1 ZINC000161101139 295398412 /nfs/dbraw/zinc/39/84/12/295398412.db2.gz BVPMZNZIKXNNKD-PKOBYXMFSA-N 1 0 318.461 2.967 20 70 DFIDRO CN(C(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(-c2ccccc2)cc1 ZINC000161082970 295398754 /nfs/dbraw/zinc/39/87/54/295398754.db2.gz DKFKOAUSDZAPHG-GOSISDBHSA-N 1 0 310.397 2.695 20 70 DFIDRO CN(Cc1cnc(N2CCOCC2)s1)Cc1ccc(F)cc1 ZINC000161143347 295399042 /nfs/dbraw/zinc/39/90/42/295399042.db2.gz YLMCSTMUBLBJRT-UHFFFAOYSA-N 1 0 321.421 2.751 20 70 DFIDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3)C2=O)C1(C)C ZINC000161289470 295401428 /nfs/dbraw/zinc/40/14/28/295401428.db2.gz YWOOSMXCCAFAJP-BZUAXINKSA-N 1 0 302.418 2.585 20 70 DFIDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160999873 334881951 /nfs/dbraw/zinc/88/19/51/334881951.db2.gz XQZAIANXMKHTSC-ZDUSSCGKSA-N 1 0 310.825 2.993 20 70 DFIDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)NCCOc1cccc(C)c1 ZINC000218682243 337087256 /nfs/dbraw/zinc/08/72/56/337087256.db2.gz RYUCXDXQMBAICU-MRXNPFEDSA-N 1 0 304.434 2.777 20 70 DFIDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000217861238 340490588 /nfs/dbraw/zinc/49/05/88/340490588.db2.gz ISXNTMFNRWFWCC-KRWDZBQOSA-N 1 0 308.491 2.881 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@H]2CCN(C)c3ccccc32)CC1 ZINC000161337482 519645039 /nfs/dbraw/zinc/64/50/39/519645039.db2.gz OVOXCLFRBSYZLQ-KLAILNCOSA-N 1 0 315.461 2.647 20 70 DFIDRO CCOC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160196357 520170631 /nfs/dbraw/zinc/17/06/31/520170631.db2.gz CTRDQOBFGMRFGO-ZDUSSCGKSA-N 1 0 309.406 2.658 20 70 DFIDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000160368442 521848812 /nfs/dbraw/zinc/84/88/12/521848812.db2.gz ZRYCZGVJQCVNBF-JTQLQIEISA-N 1 0 318.314 2.868 20 70 DFIDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160415149 522359808 /nfs/dbraw/zinc/35/98/08/522359808.db2.gz RXMSWDTXPPKIII-CABCVRRESA-N 1 0 324.490 2.995 20 70 DFIDRO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)C[NH+]1CCCC1 ZINC000161072740 524443808 /nfs/dbraw/zinc/44/38/08/524443808.db2.gz WXOZHDWISPWFFH-XNRPHZJLSA-N 1 0 322.399 2.916 20 70 DFIDRO O=C(c1ccc(Oc2cccnc2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160403201 526710279 /nfs/dbraw/zinc/71/02/79/526710279.db2.gz VFNCFWHQGIOXLI-IYBDPMFKSA-N 1 0 323.396 2.840 20 70 DFIDRO Cc1nc(CCCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000161438097 526806288 /nfs/dbraw/zinc/80/62/88/526806288.db2.gz HRCZUVGFNALAIF-NNQSOWQGSA-N 1 0 307.463 2.516 20 70 DFIDRO [NH3+]C1(C(=O)NCCc2cc3ccccc3o2)Cc2ccccc2C1 ZINC000160486216 527127878 /nfs/dbraw/zinc/12/78/78/527127878.db2.gz YXJTUYOSHMUZKG-UHFFFAOYSA-N 1 0 320.392 2.588 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(F)c(F)c(F)c1)CC2 ZINC000160426023 282127073 /nfs/dbraw/zinc/12/70/73/282127073.db2.gz LQVIUMHLGLIBPK-LDYMZIIASA-N 1 0 310.323 2.669 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2cccc(Cl)c2)CC1 ZINC000159542739 186125976 /nfs/dbraw/zinc/12/59/76/186125976.db2.gz RJSVEYIAUXJYIO-UHFFFAOYSA-N 1 0 309.841 2.620 20 70 DFIDRO Cc1nc(C)c(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)s1 ZINC000159581881 186129081 /nfs/dbraw/zinc/12/90/81/186129081.db2.gz ITPSWUMJBMNSNF-JLTOFOAXSA-N 1 0 308.472 2.969 20 70 DFIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H](O)c2ccccc2)C1 ZINC000159650025 186132928 /nfs/dbraw/zinc/13/29/28/186132928.db2.gz XRIMUGMPCATMEW-NUJGCVRESA-N 1 0 318.461 2.594 20 70 DFIDRO CCC(CC)(C[NH2+]CC(=O)Nc1ccc(C)cc1)C(=O)OC ZINC000159659875 186133436 /nfs/dbraw/zinc/13/34/36/186133436.db2.gz SBDLOLBAHDQTAB-UHFFFAOYSA-N 1 0 306.406 2.503 20 70 DFIDRO COc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(OC)c1 ZINC000159656104 186133758 /nfs/dbraw/zinc/13/37/58/186133758.db2.gz IQTXQCLJOSGGPD-XIRDDKMYSA-N 1 0 303.402 2.751 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)Cc2ccccc2C)CC1 ZINC000159699636 186136197 /nfs/dbraw/zinc/13/61/97/186136197.db2.gz UDROSZWSSIILQA-MRXNPFEDSA-N 1 0 303.450 2.663 20 70 DFIDRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCO)CCC3)cc1 ZINC000159702025 186136267 /nfs/dbraw/zinc/13/62/67/186136267.db2.gz FZRBGXWWCZSHHS-ZDUSSCGKSA-N 1 0 304.415 2.778 20 70 DFIDRO COc1ccc([C@@H]2CCC[N@@H+]2CCn2ccnc2)cc1OC ZINC000159704320 186136469 /nfs/dbraw/zinc/13/64/69/186136469.db2.gz DCNLNEKGMVYXKC-HNNXBMFYSA-N 1 0 301.390 2.737 20 70 DFIDRO C#CCOc1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000159714179 186137030 /nfs/dbraw/zinc/13/70/30/186137030.db2.gz LWJTVWRTKGOWDN-UHFFFAOYSA-N 1 0 322.408 2.690 20 70 DFIDRO C[C@H](CNC(=O)N1CCc2cccc(F)c2C1)C[NH+]1CCCC1 ZINC000159743654 186139346 /nfs/dbraw/zinc/13/93/46/186139346.db2.gz QPABLZCUACTNCS-CQSZACIVSA-N 1 0 319.424 2.625 20 70 DFIDRO C[C@H](Cc1ccccc1F)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000159494768 398964904 /nfs/dbraw/zinc/96/49/04/398964904.db2.gz KCCBBIYFNSMMES-CJNGLKHVSA-N 1 0 304.409 2.605 20 70 DFIDRO Cc1nn(C)cc1C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000159741145 398966210 /nfs/dbraw/zinc/96/62/10/398966210.db2.gz ODNOHFQWWRQMMI-GFCCVEGCSA-N 1 0 312.417 2.928 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)cc1 ZINC000159500055 398965110 /nfs/dbraw/zinc/96/51/10/398965110.db2.gz NDMSHMLEBZIISU-DOMZBBRYSA-N 1 0 313.463 2.538 20 70 DFIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)NC1(c2ccccc2F)CC1 ZINC000160625992 398971945 /nfs/dbraw/zinc/97/19/45/398971945.db2.gz DOMOLJKOHJIOTD-CQSZACIVSA-N 1 0 317.408 2.598 20 70 DFIDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(Br)c(F)c1 ZINC000161500563 197500318 /nfs/dbraw/zinc/50/03/18/197500318.db2.gz MVBCLJHBHQJSQM-VHSXEESVSA-N 1 0 301.203 2.770 20 70 DFIDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C[C@@H]1C ZINC000161489450 197499465 /nfs/dbraw/zinc/49/94/65/197499465.db2.gz XGCDFZFMNIQFQZ-VGWMRTNUSA-N 1 0 322.449 2.840 20 70 DFIDRO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)C[NH+]1CCCC1 ZINC000161071960 197462077 /nfs/dbraw/zinc/46/20/77/197462077.db2.gz MRJPAXMPYYTDET-YUELXQCFSA-N 1 0 322.399 2.916 20 70 DFIDRO COc1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c(C)n1 ZINC000161013065 197457149 /nfs/dbraw/zinc/45/71/49/197457149.db2.gz WDXKHNQSTYJSFL-UHFFFAOYSA-N 1 0 320.437 2.641 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)CCc2cccc(F)c2F)CC1 ZINC000161002575 197456794 /nfs/dbraw/zinc/45/67/94/197456794.db2.gz UAKFXJCAJZAQJC-UHFFFAOYSA-N 1 0 310.388 2.746 20 70 DFIDRO CC(C)[NH2+]C1CCN(Cc2noc(-c3ccsc3)n2)CC1 ZINC000160819966 197440944 /nfs/dbraw/zinc/44/09/44/197440944.db2.gz AVRQZJZLXSDEID-UHFFFAOYSA-N 1 0 306.435 2.761 20 70 DFIDRO Fc1cc(F)cc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000160277050 197397953 /nfs/dbraw/zinc/39/79/53/197397953.db2.gz NIWBQVNPYCWDIN-JTQLQIEISA-N 1 0 308.294 2.939 20 70 DFIDRO [NH3+][C@@H]1CCN(C(=O)c2occc2CSc2ccccc2)C1 ZINC000160263088 197396763 /nfs/dbraw/zinc/39/67/63/197396763.db2.gz PGNBYVJUTYHGNE-CYBMUJFWSA-N 1 0 302.399 2.745 20 70 DFIDRO CN(Cc1nc(-c2cccc(Cl)c2)no1)[C@@H](C[NH3+])C1CC1 ZINC000160165481 197390406 /nfs/dbraw/zinc/39/04/06/197390406.db2.gz ROWBOUFTGDIJTI-ZDUSSCGKSA-N 1 0 306.797 2.559 20 70 DFIDRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000160073245 197383679 /nfs/dbraw/zinc/38/36/79/197383679.db2.gz JZZRBEYPTZZGAK-CYBMUJFWSA-N 1 0 316.232 2.601 20 70 DFIDRO CCc1nn(C)c(Cl)c1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000160111343 197386317 /nfs/dbraw/zinc/38/63/17/197386317.db2.gz PAXSMTURIYPTIB-UHFFFAOYSA-N 1 0 320.824 2.950 20 70 DFIDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000159985681 197377804 /nfs/dbraw/zinc/37/78/04/197377804.db2.gz ZGXKZQSYNNGWIW-IRXDYDNUSA-N 1 0 304.434 2.755 20 70 DFIDRO Cc1c(CC(=O)NCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000159934749 197374961 /nfs/dbraw/zinc/37/49/61/197374961.db2.gz NQXZEOJHFGBKDB-UHFFFAOYSA-N 1 0 321.421 2.681 20 70 DFIDRO Cc1nc(-c2ccccc2)ncc1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000159913519 197372431 /nfs/dbraw/zinc/37/24/31/197372431.db2.gz VLAMHUIPIAAZDT-INIZCTEOSA-N 1 0 324.428 2.618 20 70 DFIDRO CCn1nccc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000159882219 197370795 /nfs/dbraw/zinc/37/07/95/197370795.db2.gz FURTXFJPACXQMG-INIZCTEOSA-N 1 0 302.422 2.813 20 70 DFIDRO O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159849566 197369045 /nfs/dbraw/zinc/36/90/45/197369045.db2.gz HVQNZRQKKUINQM-UHFFFAOYSA-N 1 0 324.428 2.681 20 70 DFIDRO CC[C@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)c1cnn(C)c1 ZINC000159848643 197367985 /nfs/dbraw/zinc/36/79/85/197367985.db2.gz TYVMOXRJUXZAIT-CJNGLKHVSA-N 1 0 318.490 2.969 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NC2CC(c3ccccc3)C2)CC1 ZINC000159815414 197366256 /nfs/dbraw/zinc/36/62/56/197366256.db2.gz HZAQWKQWZWXVOW-UHFFFAOYSA-N 1 0 301.434 2.670 20 70 DFIDRO CCCOc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1OC ZINC000159806927 197365397 /nfs/dbraw/zinc/36/53/97/197365397.db2.gz NASWMPPHUZSQJR-UHFFFAOYSA-N 1 0 320.433 2.571 20 70 DFIDRO CC[C@@H]([NH2+]C[C@@H](C)N1CCc2ccccc2C1)c1cnn(C)c1 ZINC000159788752 197364550 /nfs/dbraw/zinc/36/45/50/197364550.db2.gz UCXCVOQJXVSMPN-DNVCBOLYSA-N 1 0 312.461 2.908 20 70 DFIDRO CC[C@H]([NH2+]C[C@@H](C)N1CCc2ccccc2C1)c1cnn(C)c1 ZINC000159788609 197364318 /nfs/dbraw/zinc/36/43/18/197364318.db2.gz UCXCVOQJXVSMPN-BEFAXECRSA-N 1 0 312.461 2.908 20 70 DFIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCc3cccc(F)c3C2)C1 ZINC000159776649 197363547 /nfs/dbraw/zinc/36/35/47/197363547.db2.gz HSRAARCMKJOWAT-AWEZNQCLSA-N 1 0 319.424 2.625 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000159505751 197358658 /nfs/dbraw/zinc/35/86/58/197358658.db2.gz UOKHWSTVOUPLQM-GFCCVEGCSA-N 1 0 311.376 2.763 20 70 DFIDRO COc1ccc(OC)c(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159488931 197357845 /nfs/dbraw/zinc/35/78/45/197357845.db2.gz VIVGVJRZWRQZIF-PVAVHDDUSA-N 1 0 303.402 2.751 20 70 DFIDRO COc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1OC ZINC000159510630 197360283 /nfs/dbraw/zinc/36/02/83/197360283.db2.gz ZGRAKBHGNLHHRN-XKQJLSEDSA-N 1 0 303.402 2.751 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)NCCOc1ccccc1C(C)(C)C ZINC000159512680 197359668 /nfs/dbraw/zinc/35/96/68/197359668.db2.gz BLTZKWYJJLQGDR-CQSZACIVSA-N 1 0 324.490 2.560 20 70 DFIDRO CC[NH+](CC)CCNC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000159458702 197354859 /nfs/dbraw/zinc/35/48/59/197354859.db2.gz VELILXZJZLJISY-DLBZAZTESA-N 1 0 319.449 2.548 20 70 DFIDRO Cc1nccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1Cl ZINC000159534759 542718002 /nfs/dbraw/zinc/71/80/02/542718002.db2.gz MMISQJGAXVOXNK-JSGCOSHPSA-N 1 0 322.840 2.991 20 70 DFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCc2sccc2C1 ZINC000159585139 542718800 /nfs/dbraw/zinc/71/88/00/542718800.db2.gz GMKCDSWRKPFGGS-ZFWWWQNUSA-N 1 0 304.459 2.897 20 70 DFIDRO CCCOc1ccc(C[NH2+]Cc2ccnn2CC)cc1OC ZINC000159965393 542720047 /nfs/dbraw/zinc/72/00/47/542720047.db2.gz PZBNAVVWBOXPJO-UHFFFAOYSA-N 1 0 303.406 2.990 20 70 DFIDRO Cc1noc(C)c1C[C@@H](C)NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000160226026 542721996 /nfs/dbraw/zinc/72/19/96/542721996.db2.gz RDZIOFNWZIGOGQ-PSLIRLAXSA-N 1 0 321.808 2.692 20 70 DFIDRO C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)Cc1cccs1 ZINC000161096792 542727059 /nfs/dbraw/zinc/72/70/59/542727059.db2.gz KVSABWBLRNGTGS-SUMWQHHRSA-N 1 0 314.454 2.930 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000161337639 542728849 /nfs/dbraw/zinc/72/88/49/542728849.db2.gz BOZRKKNNSNIENZ-VXGBXAGGSA-N 1 0 300.324 2.634 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000161337530 542728913 /nfs/dbraw/zinc/72/89/13/542728913.db2.gz BOZRKKNNSNIENZ-RYUDHWBXSA-N 1 0 300.324 2.634 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)C1 ZINC000161397630 542729213 /nfs/dbraw/zinc/72/92/13/542729213.db2.gz FQESAPQPALFMRQ-KBPBESRZSA-N 1 0 308.809 2.689 20 70 DFIDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)c2ccncc2)C1 ZINC000160816999 542725255 /nfs/dbraw/zinc/72/52/55/542725255.db2.gz QQBVHTMXRYCBRK-CVEARBPZSA-N 1 0 303.450 2.766 20 70 DFIDRO Cc1nc2cc(F)ccc2cc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161010718 542725850 /nfs/dbraw/zinc/72/58/50/542725850.db2.gz KALPJYDCDXNTNL-KGLIPLIRSA-N 1 0 301.365 2.682 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(Oc3ccccc3)ccn2)C1 ZINC000160983401 542725871 /nfs/dbraw/zinc/72/58/71/542725871.db2.gz LQKOVLFJKUBQKV-UONOGXRCSA-N 1 0 311.385 2.874 20 70 DFIDRO O=C(NCCC1CC[NH2+]CC1)c1ccccc1Br ZINC000217268413 542876539 /nfs/dbraw/zinc/87/65/39/542876539.db2.gz APHSLEWKTOHTIQ-UHFFFAOYSA-N 1 0 311.223 2.569 20 70 DFIDRO Cc1ccc(-c2cnc(CCC(=O)N3CCC[C@H]3C[NH3+])o2)cc1 ZINC000160125302 292030579 /nfs/dbraw/zinc/03/05/79/292030579.db2.gz NIQIEOOBYYRYKF-HNNXBMFYSA-N 1 0 313.401 2.532 20 70 DFIDRO O[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000160453326 145221025 /nfs/dbraw/zinc/22/10/25/145221025.db2.gz KTMJLBKYHHAOQY-QFBILLFUSA-N 1 0 320.452 2.931 20 70 DFIDRO Cc1ccccc1CN1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000218751314 146000245 /nfs/dbraw/zinc/00/02/45/146000245.db2.gz YMYIHFBFXPHHJF-NRFANRHFSA-N 1 0 324.468 2.716 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000159454128 286018084 /nfs/dbraw/zinc/01/80/84/286018084.db2.gz JBLDMXWNOOBQAF-UGFHNGPFSA-N 1 0 310.825 2.674 20 70 DFIDRO CC[C@H](CCO)[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000217709853 268138470 /nfs/dbraw/zinc/13/84/70/268138470.db2.gz SLPXMUPMSGZJCM-HZSPNIEDSA-N 1 0 300.443 2.573 20 70 DFIDRO CSCCCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160387040 425980434 /nfs/dbraw/zinc/98/04/34/425980434.db2.gz VULRRWZQNYQYPG-OAHLLOKOSA-N 1 0 313.511 2.790 20 70 DFIDRO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000160359620 425980472 /nfs/dbraw/zinc/98/04/72/425980472.db2.gz PLZAAOUGCGAKEU-SIFUEBAJSA-N 1 0 314.429 2.971 20 70 DFIDRO COCc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160453150 425982667 /nfs/dbraw/zinc/98/26/67/425982667.db2.gz MHIJFZPDQIJDTP-QGZVFWFLSA-N 1 0 304.434 2.683 20 70 DFIDRO COc1ccc(CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1F ZINC000160480756 425983954 /nfs/dbraw/zinc/98/39/54/425983954.db2.gz RBBYEXOENGTXAH-OAHLLOKOSA-N 1 0 322.424 2.613 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000160506595 425985158 /nfs/dbraw/zinc/98/51/58/425985158.db2.gz OURNJBQMIQWYJR-UHFFFAOYSA-N 1 0 322.497 2.722 20 70 DFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000160527817 425985265 /nfs/dbraw/zinc/98/52/65/425985265.db2.gz HQFHDAAZRFZWRV-NWDGAFQWSA-N 1 0 317.364 2.567 20 70 DFIDRO COc1ccc(OC)c(C[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000160520456 425985350 /nfs/dbraw/zinc/98/53/50/425985350.db2.gz PQTODBCYXBCDLM-UHFFFAOYSA-N 1 0 315.417 2.817 20 70 DFIDRO C[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@H]1CCOC1 ZINC000160523399 425985718 /nfs/dbraw/zinc/98/57/18/425985718.db2.gz PESOUZGOZRXVME-RDJZCZTQSA-N 1 0 303.450 2.977 20 70 DFIDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160538242 425986356 /nfs/dbraw/zinc/98/63/56/425986356.db2.gz BQFTXGLWQDAIAG-MRVPVSSYSA-N 1 0 323.384 2.904 20 70 DFIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cnn(CC)c2)c1 ZINC000160562856 425987493 /nfs/dbraw/zinc/98/74/93/425987493.db2.gz KWZNMFCCCMPAAU-AWEZNQCLSA-N 1 0 314.433 2.894 20 70 DFIDRO O=C(/C=C/c1ccc(OC(F)F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160561652 425988064 /nfs/dbraw/zinc/98/80/64/425988064.db2.gz RRIGBVVNRDRJIE-YLXGSJGQSA-N 1 0 322.355 2.654 20 70 DFIDRO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCC2CCCC2)CC1 ZINC000160577344 425988363 /nfs/dbraw/zinc/98/83/63/425988363.db2.gz JFACCGZSXPNNEK-MRXNPFEDSA-N 1 0 321.509 2.632 20 70 DFIDRO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1NC(C)=O ZINC000160591942 425988434 /nfs/dbraw/zinc/98/84/34/425988434.db2.gz OFNIFZVBCSYNIE-VMGRFDJRSA-N 1 0 320.433 2.855 20 70 DFIDRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c2ccccc21 ZINC000160593520 425988653 /nfs/dbraw/zinc/98/86/53/425988653.db2.gz AWQKUSZTLRHCTI-ZWNOBZJWSA-N 1 0 300.324 2.893 20 70 DFIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](CC)[C@@H]2CCOC2)c1 ZINC000160625198 425989813 /nfs/dbraw/zinc/98/98/13/425989813.db2.gz RWPYHTGUGSESIZ-IAGOWNOFSA-N 1 0 304.434 2.731 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](OC2CCCC2)c2ccccc2)C1 ZINC000160626424 425990349 /nfs/dbraw/zinc/99/03/49/425990349.db2.gz LCHFANWAFOSBOT-DOTOQJQBSA-N 1 0 302.418 2.507 20 70 DFIDRO CC[NH+](CC)CCNC(=O)NCc1csc(-c2ccco2)n1 ZINC000160639638 425990826 /nfs/dbraw/zinc/99/08/26/425990826.db2.gz UTZLJMBYRAOUOX-UHFFFAOYSA-N 1 0 322.434 2.544 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)CCOc2ccccc2-c2ccccc2)C1 ZINC000160694473 425991943 /nfs/dbraw/zinc/99/19/43/425991943.db2.gz MTAYVZCEUUWXQU-KRWDZBQOSA-N 1 0 324.424 2.943 20 70 DFIDRO CCOCCC1(C(=O)NCc2ccccc2C[NH+](C)C)CCC1 ZINC000160685082 425992221 /nfs/dbraw/zinc/99/22/21/425992221.db2.gz QBANIBBGMVSZPQ-UHFFFAOYSA-N 1 0 318.461 2.961 20 70 DFIDRO Cc1c(C[NH2+]CCOc2cccc(Br)c2)cnn1C ZINC000160707448 425993009 /nfs/dbraw/zinc/99/30/09/425993009.db2.gz HINPUCZKBXEYOH-UHFFFAOYSA-N 1 0 324.222 2.660 20 70 DFIDRO CCCOc1cccc(CC(=O)NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC000160699432 425993221 /nfs/dbraw/zinc/99/32/21/425993221.db2.gz DVVQJAHYUJSQNH-INIZCTEOSA-N 1 0 304.434 2.618 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)C1 ZINC000160732462 425994364 /nfs/dbraw/zinc/99/43/64/425994364.db2.gz AQRZSJKDMHSILT-CYBMUJFWSA-N 1 0 321.380 2.929 20 70 DFIDRO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160790588 425996557 /nfs/dbraw/zinc/99/65/57/425996557.db2.gz NUJOISNCBAYQCO-GJZGRUSLSA-N 1 0 314.433 2.828 20 70 DFIDRO O=C(Nc1cccc(F)n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000160817772 425997646 /nfs/dbraw/zinc/99/76/46/425997646.db2.gz AWSDMEADSDABET-ZDUSSCGKSA-N 1 0 306.385 2.560 20 70 DFIDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2nccn2C(C)C)C1 ZINC000160846794 425997931 /nfs/dbraw/zinc/99/79/31/425997931.db2.gz HPNYILZWWBDYNX-HZPDHXFCSA-N 1 0 320.481 2.981 20 70 DFIDRO CC[NH+](CC)C[C@H]1CCN(Cc2c(C)nc3ccccn32)C1 ZINC000160866395 425999019 /nfs/dbraw/zinc/99/90/19/425999019.db2.gz HTRHPVRVFUTOJK-MRXNPFEDSA-N 1 0 300.450 2.806 20 70 DFIDRO Cc1c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cnn1CC(C)C ZINC000160939213 426003222 /nfs/dbraw/zinc/00/32/22/426003222.db2.gz DSMIEFSESUHQIG-GJZGRUSLSA-N 1 0 320.481 2.698 20 70 DFIDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161000212 426004483 /nfs/dbraw/zinc/00/44/83/426004483.db2.gz UUYHKUKAINFODG-GOEBONIOSA-N 1 0 310.482 2.506 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)CCc2ccc(OC)c(F)c2)CC1 ZINC000161017739 426004979 /nfs/dbraw/zinc/00/49/79/426004979.db2.gz JMQCESMVWMWIIT-UHFFFAOYSA-N 1 0 322.424 2.615 20 70 DFIDRO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000159369299 425959450 /nfs/dbraw/zinc/95/94/50/425959450.db2.gz IBZYWUXTJHAJRP-GDBMZVCRSA-N 1 0 320.383 2.811 20 70 DFIDRO CCn1cc(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)cn1 ZINC000159389771 425959560 /nfs/dbraw/zinc/95/95/60/425959560.db2.gz GBYRPCPBWZIBSR-UHFFFAOYSA-N 1 0 300.450 2.903 20 70 DFIDRO C[C@@H]1C[N@H+](CCOc2ccc(Br)cc2)CC[C@@H]1O ZINC000159441146 425960439 /nfs/dbraw/zinc/96/04/39/425960439.db2.gz VOFPBFXPSORQKD-RISCZKNCSA-N 1 0 314.223 2.531 20 70 DFIDRO Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](c4cc[nH]n4)C3)C2=O)cc1 ZINC000159433105 425961057 /nfs/dbraw/zinc/96/10/57/425961057.db2.gz MPXBPYPQXVKZOX-YJBOKZPZSA-N 1 0 324.428 2.703 20 70 DFIDRO COc1ccccc1[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000159466557 425961153 /nfs/dbraw/zinc/96/11/53/425961153.db2.gz UUSIBVAHLSKPHN-QFBILLFUSA-N 1 0 324.424 2.900 20 70 DFIDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cc(F)ccc1Br ZINC000161024436 426005052 /nfs/dbraw/zinc/00/50/52/426005052.db2.gz HYTHSLAKJRJXEB-XLFHBGCDSA-N 1 0 322.243 2.835 20 70 DFIDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C(C)(C)C[NH3+])cc1 ZINC000159533096 425962245 /nfs/dbraw/zinc/96/22/45/425962245.db2.gz BHPDASMHUWSDBG-HOTGVXAUSA-N 1 0 304.434 2.564 20 70 DFIDRO Cc1ccc(NC(=O)C2([NH3+])CCCCC2)cc1C(=O)NC(C)C ZINC000159499963 425962321 /nfs/dbraw/zinc/96/23/21/425962321.db2.gz HROBTYNXZXNAQQ-UHFFFAOYSA-N 1 0 317.433 2.733 20 70 DFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000159525525 425962339 /nfs/dbraw/zinc/96/23/39/425962339.db2.gz UMLCRYDNYLJFCB-GXSJLCMTSA-N 1 0 316.323 2.513 20 70 DFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000159595575 425962811 /nfs/dbraw/zinc/96/28/11/425962811.db2.gz ZDDDSKHOCMXLEW-GHMZBOCLSA-N 1 0 321.471 2.957 20 70 DFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnc(-c2ccsc2)s1 ZINC000159595297 425963164 /nfs/dbraw/zinc/96/31/64/425963164.db2.gz ZDDDSKHOCMXLEW-MNOVXSKESA-N 1 0 321.471 2.957 20 70 DFIDRO Cc1ccc(C)c(SCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159624933 425964779 /nfs/dbraw/zinc/96/47/79/425964779.db2.gz PLYXYMPVGUEOAG-GASCZTMLSA-N 1 0 304.459 2.748 20 70 DFIDRO CC(C)(C)[C@H](COc1ccccc1F)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000159774383 425967572 /nfs/dbraw/zinc/96/75/72/425967572.db2.gz LRQZHZFBSLACBX-BBRMVZONSA-N 1 0 322.424 2.735 20 70 DFIDRO COc1ccccc1-c1cnc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)o1 ZINC000159769761 425968047 /nfs/dbraw/zinc/96/80/47/425968047.db2.gz POONPKPILCRLMR-HIFRSBDPSA-N 1 0 316.401 2.943 20 70 DFIDRO CCCOc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1OC ZINC000159812826 425968287 /nfs/dbraw/zinc/96/82/87/425968287.db2.gz SZMNJUWZXIGMJH-UHFFFAOYSA-N 1 0 320.433 2.571 20 70 DFIDRO Clc1cnc(N2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000159837650 425968522 /nfs/dbraw/zinc/96/85/22/425968522.db2.gz FVOXFAQMVFIUDK-SNVBAGLBSA-N 1 0 316.630 2.782 20 70 DFIDRO NC(=O)CC1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000159826093 425968655 /nfs/dbraw/zinc/96/86/55/425968655.db2.gz QZHVKXSMZZDGFR-UHFFFAOYSA-N 1 0 316.323 2.673 20 70 DFIDRO [NH3+]C1(C(=O)N[C@@H](Cc2ccccc2)C2CC2)Cc2ccccc2C1 ZINC000159821017 425968937 /nfs/dbraw/zinc/96/89/37/425968937.db2.gz ZQWLEHIWGJGQSW-IBGZPJMESA-N 1 0 320.436 2.620 20 70 DFIDRO CCCNC(=O)[C@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000159874424 425969040 /nfs/dbraw/zinc/96/90/40/425969040.db2.gz ZCOCVJOXYAPLAM-KRWDZBQOSA-N 1 0 318.461 2.866 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCCCOc2ccccc2C)CC1 ZINC000159824522 425969300 /nfs/dbraw/zinc/96/93/00/425969300.db2.gz IYTQEEZRWBNHQT-UHFFFAOYSA-N 1 0 319.449 2.501 20 70 DFIDRO CC(C)([NH3+])CNC(=O)c1cc2cc(Br)ccc2o1 ZINC000159932109 425970014 /nfs/dbraw/zinc/97/00/14/425970014.db2.gz PGCVPSYQQUQHBY-UHFFFAOYSA-N 1 0 311.179 2.662 20 70 DFIDRO CC[C@@H](C)c1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159964986 425971873 /nfs/dbraw/zinc/97/18/73/425971873.db2.gz KSWFKWBJFSVZSL-WBMJQRKESA-N 1 0 310.463 2.558 20 70 DFIDRO COc1ccc(C#N)cc1C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000159968292 425972092 /nfs/dbraw/zinc/97/20/92/425972092.db2.gz LHBFZPLHYYSJPI-UHFFFAOYSA-N 1 0 324.428 2.755 20 70 DFIDRO Cc1cc(C)c(NC(=O)CN(C)[C@@H](C[NH3+])C2CC2)c(Cl)c1 ZINC000160011935 425972864 /nfs/dbraw/zinc/97/28/64/425972864.db2.gz VNPOTFHERAKXAG-AWEZNQCLSA-N 1 0 309.841 2.564 20 70 DFIDRO C[C@H]1C[C@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CCN1C ZINC000160000279 425973112 /nfs/dbraw/zinc/97/31/12/425973112.db2.gz CYJJNKKOMBVYIG-DOTOQJQBSA-N 1 0 323.525 2.686 20 70 DFIDRO O=C(Cc1ccc(C(F)(F)F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160051797 425973345 /nfs/dbraw/zinc/97/33/45/425973345.db2.gz CDSYYINLSVZWBZ-OKILXGFUSA-N 1 0 312.335 2.601 20 70 DFIDRO COC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C(C)C ZINC000160178435 425976145 /nfs/dbraw/zinc/97/61/45/425976145.db2.gz KDCZJBALPLTKPF-NVXWUHKLSA-N 1 0 319.424 2.927 20 70 DFIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000160238689 425977342 /nfs/dbraw/zinc/97/73/42/425977342.db2.gz KSJZGSNXHBBQQJ-FZMZJTMJSA-N 1 0 313.323 2.530 20 70 DFIDRO CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1c1cccc(C)n1 ZINC000160254455 425977684 /nfs/dbraw/zinc/97/76/84/425977684.db2.gz FOFYVVXDIMPVBB-RHSMWYFYSA-N 1 0 314.433 2.535 20 70 DFIDRO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160340358 425978891 /nfs/dbraw/zinc/97/88/91/425978891.db2.gz IFRMZZHVVZCUNO-LLVKDONJSA-N 1 0 323.462 2.604 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)n1 ZINC000160325122 425979418 /nfs/dbraw/zinc/97/94/18/425979418.db2.gz ILRVNKSGEZQUIM-CABCVRRESA-N 1 0 321.469 2.779 20 70 DFIDRO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cn3cc(C)ccc3n2)C1 ZINC000161417109 426022756 /nfs/dbraw/zinc/02/27/56/426022756.db2.gz ZCJJISZUVGHLRY-OAHLLOKOSA-N 1 0 324.432 2.634 20 70 DFIDRO C[C@@H]1C[C@@H](NC(=O)NC2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000161432077 426024496 /nfs/dbraw/zinc/02/44/96/426024496.db2.gz WVSGTYWPQBNKBI-RHSMWYFYSA-N 1 0 301.434 2.891 20 70 DFIDRO COCC[NH2+]CC(=O)Nc1cc(C)ccc1Oc1ccccc1 ZINC000161501024 426026270 /nfs/dbraw/zinc/02/62/70/426026270.db2.gz ZJXJKUZCSGMLAG-UHFFFAOYSA-N 1 0 314.385 2.962 20 70 DFIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC000161087450 426007466 /nfs/dbraw/zinc/00/74/66/426007466.db2.gz XTKLLKWTMPFORS-UONOGXRCSA-N 1 0 314.433 2.799 20 70 DFIDRO CC[C@@H](C)NC(=O)c1cccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000161086565 426007826 /nfs/dbraw/zinc/00/78/26/426007826.db2.gz BLKCATVLLWAODY-DAYGRLMNSA-N 1 0 317.477 2.645 20 70 DFIDRO O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CC[NH+](CC2CC2)CC1 ZINC000161131046 426009679 /nfs/dbraw/zinc/00/96/79/426009679.db2.gz VGFPXLRDRORLLY-GDBMZVCRSA-N 1 0 320.383 2.623 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)Cc2csc(C(C)(C)C)n2)CC1 ZINC000161144735 426009979 /nfs/dbraw/zinc/00/99/79/426009979.db2.gz GCJJJYXIEAVQDT-UHFFFAOYSA-N 1 0 323.506 2.831 20 70 DFIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC000161152031 426011570 /nfs/dbraw/zinc/01/15/70/426011570.db2.gz AFNGBKLDFCSEDR-CJNGLKHVSA-N 1 0 312.417 2.535 20 70 DFIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](COC)C2CC2)c1 ZINC000161150639 426011697 /nfs/dbraw/zinc/01/16/97/426011697.db2.gz VUJWQHUZPYBVGX-GUYCJALGSA-N 1 0 304.434 2.730 20 70 DFIDRO CC(=O)NC1CCC([NH2+]CCCN(C)c2ccccc2)CC1 ZINC000161223176 426013479 /nfs/dbraw/zinc/01/34/79/426013479.db2.gz BVSLLECCDZOBFB-UHFFFAOYSA-N 1 0 303.450 2.550 20 70 DFIDRO CCC[C@H](C(=O)Nc1ccc(NC(=O)C(C)C)cc1)[NH+](C)C ZINC000161233490 426013679 /nfs/dbraw/zinc/01/36/79/426013679.db2.gz NZUMQERQJACBIS-OAHLLOKOSA-N 1 0 305.422 2.950 20 70 DFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000161210971 426013951 /nfs/dbraw/zinc/01/39/51/426013951.db2.gz FPNLBMUHEWKXHS-MAUKXSAKSA-N 1 0 313.449 2.792 20 70 DFIDRO C[C@H](CNC(=O)c1c(F)cc(F)cc1F)C[NH+]1CCCCC1 ZINC000161208483 426013963 /nfs/dbraw/zinc/01/39/63/426013963.db2.gz RXWLWTAJORGOAG-LLVKDONJSA-N 1 0 314.351 2.956 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(-c2nc(C)cs2)c1 ZINC000161235737 426014705 /nfs/dbraw/zinc/01/47/05/426014705.db2.gz ABOVQAUMBOFGDL-OAHLLOKOSA-N 1 0 315.442 2.943 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000161257913 426015071 /nfs/dbraw/zinc/01/50/71/426015071.db2.gz PQQRYCPIRFQCFW-UONOGXRCSA-N 1 0 314.351 2.933 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCCCc1ccc(OC)cc1 ZINC000161256244 426015154 /nfs/dbraw/zinc/01/51/54/426015154.db2.gz RBKGHFKYHUVEIO-MRXNPFEDSA-N 1 0 304.434 2.618 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000161278356 426017322 /nfs/dbraw/zinc/01/73/22/426017322.db2.gz NSVASCCFNXUATI-WWDZGPRUSA-N 1 0 315.461 2.550 20 70 DFIDRO CC(=O)NC1CCC([NH2+]CC2(c3ccc(F)cc3)CC2)CC1 ZINC000161307237 426018379 /nfs/dbraw/zinc/01/83/79/426018379.db2.gz QCSGJJOABZPSHW-UHFFFAOYSA-N 1 0 304.409 2.894 20 70 DFIDRO C[C@@]1(C(=O)N2CCC(OCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000161318714 426018483 /nfs/dbraw/zinc/01/84/83/426018483.db2.gz XSXXFPJZDGMWEL-LJQANCHMSA-N 1 0 316.445 2.584 20 70 DFIDRO CN(C)[C@H](C[NH2+]C1CCC2(CC1)OCCO2)c1ccc(F)cc1 ZINC000161320927 426018739 /nfs/dbraw/zinc/01/87/39/426018739.db2.gz UMMKQHALIMQOKH-QGZVFWFLSA-N 1 0 322.424 2.704 20 70 DFIDRO CC[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH]c3c2cccc3C)C1 ZINC000161322762 426019124 /nfs/dbraw/zinc/01/91/24/426019124.db2.gz CLHSSFUFRJNNPT-OAHLLOKOSA-N 1 0 313.445 2.867 20 70 DFIDRO COCc1nc(C)cc(NC[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000161313264 426019147 /nfs/dbraw/zinc/01/91/47/426019147.db2.gz QRLVTMJGHCBSKO-OAHLLOKOSA-N 1 0 306.454 2.711 20 70 DFIDRO Cc1nc(C[C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)no1 ZINC000161330723 426020196 /nfs/dbraw/zinc/02/01/96/426020196.db2.gz GPCSSWIWZKLDPB-INIZCTEOSA-N 1 0 306.454 2.509 20 70 DFIDRO CN(C(=O)[C@H]1SCCc2sccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161344584 426020215 /nfs/dbraw/zinc/02/02/15/426020215.db2.gz RBPTWJDZWCOGEN-BTQFLJHSSA-N 1 0 322.499 2.820 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000161354998 426021184 /nfs/dbraw/zinc/02/11/84/426021184.db2.gz NHEZJUMPBONHDJ-YUTCNCBUSA-N 1 0 324.371 2.602 20 70 DFIDRO C=CC[NH+]1CCC(NC(=O)c2cc3ccccc3nc2C)CC1 ZINC000216943273 426562885 /nfs/dbraw/zinc/56/28/85/426562885.db2.gz JEVGXTKZOHEWAM-UHFFFAOYSA-N 1 0 309.413 2.923 20 70 DFIDRO CN(CC(=O)Nc1c(Cl)cccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000160001023 273829868 /nfs/dbraw/zinc/82/98/68/273829868.db2.gz LTALXLJYPVHDGR-GFCCVEGCSA-N 1 0 316.232 2.601 20 70 DFIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cc(F)ccc1F ZINC000160387533 276440165 /nfs/dbraw/zinc/44/01/65/276440165.db2.gz HPKNLQAZHJKKQT-IUODEOHRSA-N 1 0 306.360 2.920 20 70 DFIDRO CO[C@@H]1CCN(Cc2c(Cl)cccc2Cl)[C@H](C[NH3+])C1 ZINC000161008757 277292759 /nfs/dbraw/zinc/29/27/59/277292759.db2.gz XIGCXERCFVEURR-WDEREUQCSA-N 1 0 303.233 2.932 20 70 DFIDRO CCC[C@@H](C)CS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160132124 278859542 /nfs/dbraw/zinc/85/95/42/278859542.db2.gz OLEWXSVTXHEYPD-CVEARBPZSA-N 1 0 316.511 2.703 20 70 DFIDRO C[C@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)[NH+]1CCCCCC1 ZINC000159889138 289364797 /nfs/dbraw/zinc/36/47/97/289364797.db2.gz ZRDFYBYHNYJTIW-HZPDHXFCSA-N 1 0 308.466 2.859 20 70 DFIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000159405731 295376345 /nfs/dbraw/zinc/37/63/45/295376345.db2.gz UECUXXVEPPTEEG-SJLPKXTDSA-N 1 0 312.498 2.944 20 70 DFIDRO Cc1ccc(C[C@@H](C)N(C)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000159445202 295377052 /nfs/dbraw/zinc/37/70/52/295377052.db2.gz VFFMHXUKLOXPCH-AEFFLSMTSA-N 1 0 317.477 2.909 20 70 DFIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000159640229 295379535 /nfs/dbraw/zinc/37/95/35/295379535.db2.gz OVFWEFKOILGTPG-WFASDCNBSA-N 1 0 324.469 2.670 20 70 DFIDRO CCC(CC)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000159656299 295379876 /nfs/dbraw/zinc/37/98/76/295379876.db2.gz QCLZSVCXTQDBLW-UHFFFAOYSA-N 1 0 308.378 2.706 20 70 DFIDRO CC(C)OC(=O)c1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159801389 295381528 /nfs/dbraw/zinc/38/15/28/295381528.db2.gz WHERSCNZOACCNR-SJORKVTESA-N 1 0 305.418 2.845 20 70 DFIDRO CC[NH+](CC)CCS[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000159837455 295382760 /nfs/dbraw/zinc/38/27/60/295382760.db2.gz WARHMGXRJZRYJU-NSHDSACASA-N 1 0 312.401 2.615 20 70 DFIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCc3cccc(F)c3C2)C1 ZINC000159925027 295384201 /nfs/dbraw/zinc/38/42/01/295384201.db2.gz YTAZFHCEAQQIPI-DYVFJYSZSA-N 1 0 319.424 2.622 20 70 DFIDRO CN(Cc1cc(Cl)c2c(c1)OCCCO2)[C@H](C[NH3+])C1CC1 ZINC000159990365 295385278 /nfs/dbraw/zinc/38/52/78/295385278.db2.gz FPMDYFGWFKNPCN-CQSZACIVSA-N 1 0 310.825 2.670 20 70 DFIDRO CC(C)[N@@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C[C@H](C)O ZINC000160070305 295386066 /nfs/dbraw/zinc/38/60/66/295386066.db2.gz ATPLLCDMBJZUAD-SWLSCSKDSA-N 1 0 319.367 2.700 20 70 DFIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000160251776 295388990 /nfs/dbraw/zinc/38/89/90/295388990.db2.gz CFUKYGHRNUZBNQ-TZMCWYRMSA-N 1 0 311.447 2.613 20 70 DFIDRO CC1CC[NH+](CCNC(=O)c2cc(F)cc3cccnc32)CC1 ZINC000160461966 295391480 /nfs/dbraw/zinc/39/14/80/295391480.db2.gz YRYMFQZHDZYQKV-UHFFFAOYSA-N 1 0 315.392 2.836 20 70 DFIDRO O=C(NCC1(c2cccc(F)c2)CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000160544411 295392461 /nfs/dbraw/zinc/39/24/61/295392461.db2.gz VDEWQIPFMCGALO-SFHVURJKSA-N 1 0 324.399 2.861 20 70 DFIDRO COC(=O)c1ccc([C@@H](C)[NH+]2CCC(c3cc[nH]n3)CC2)o1 ZINC000160551267 295392536 /nfs/dbraw/zinc/39/25/36/295392536.db2.gz BBCRSXIXBBMJQK-LLVKDONJSA-N 1 0 303.362 2.730 20 70 DFIDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160537957 295392656 /nfs/dbraw/zinc/39/26/56/295392656.db2.gz LVFYQBDSWAXTAY-OAHLLOKOSA-N 1 0 319.405 2.753 20 70 DFIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc2c(s1)CCCC2 ZINC000160557464 295392935 /nfs/dbraw/zinc/39/29/35/295392935.db2.gz CAJKWBAOPGOMDL-VIFPVBQESA-N 1 0 320.380 2.956 20 70 DFIDRO C[NH+](C)Cc1ccc(C(=O)NCCc2c(F)cccc2F)cc1 ZINC000160567756 295393034 /nfs/dbraw/zinc/39/30/34/295393034.db2.gz LXZQHSKIOIAMNY-UHFFFAOYSA-N 1 0 318.367 2.999 20 70 DFIDRO O=C(NC1CC[NH+](C2CC2)CC1)c1nc2ccccc2s1 ZINC000160744528 295394735 /nfs/dbraw/zinc/39/47/35/295394735.db2.gz WZADEMGSSIIJOX-UHFFFAOYSA-N 1 0 301.415 2.653 20 70 DFIDRO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000160909137 295396221 /nfs/dbraw/zinc/39/62/21/295396221.db2.gz JQCFGIODSKDHAC-UGFHNGPFSA-N 1 0 322.453 2.567 20 70 DFIDRO CCCn1cc(C[N@H+](CC)C[C@H]2COc3ccccc3O2)cn1 ZINC000160953157 295396736 /nfs/dbraw/zinc/39/67/36/295396736.db2.gz DSXWNAUPLDPVHK-INIZCTEOSA-N 1 0 315.417 2.955 20 70 DFIDRO CC[C@H]([NH3+])C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000161000312 295397221 /nfs/dbraw/zinc/39/72/21/295397221.db2.gz VTBVBCVUHSCRFP-HNNXBMFYSA-N 1 0 308.447 2.775 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1cccc(Br)c1 ZINC000161154593 295399390 /nfs/dbraw/zinc/39/93/90/295399390.db2.gz PKAUSYHTDDPQTB-HSBSLETESA-N 1 0 323.234 2.673 20 70 DFIDRO COC(=O)[C@H](C)[C@H]([NH2+]Cc1cnc2ccccn12)c1ccccc1 ZINC000161288709 295400861 /nfs/dbraw/zinc/40/08/61/295400861.db2.gz JUPHAEAJQPLRDR-KDOFPFPSSA-N 1 0 323.396 2.974 20 70 DFIDRO C[NH+]=C(NC[C@H]1CC=CCC1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000159959299 332867537 /nfs/dbraw/zinc/86/75/37/332867537.db2.gz VMKRBUIDFVRTLP-IKGGRYGDSA-N 1 0 315.465 2.698 20 70 DFIDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000161000003 334881967 /nfs/dbraw/zinc/88/19/67/334881967.db2.gz XQZAIANXMKHTSC-CYBMUJFWSA-N 1 0 310.825 2.993 20 70 DFIDRO CCC[C@H](C(=O)N1CCC(Oc2ccc(F)cc2)CC1)[NH+](C)C ZINC000159917816 520971080 /nfs/dbraw/zinc/97/10/80/520971080.db2.gz ONIHFDGORWHKSY-QGZVFWFLSA-N 1 0 322.424 2.926 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3ccsc3)nc2C)C1 ZINC000160490747 522504140 /nfs/dbraw/zinc/50/41/40/522504140.db2.gz MBBDZENWZGRQFL-ZDUSSCGKSA-N 1 0 301.415 2.552 20 70 DFIDRO COC[C@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)C1CC1 ZINC000161140843 522767119 /nfs/dbraw/zinc/76/71/19/522767119.db2.gz IAIAPOJWWPIXKW-KSSFIOAISA-N 1 0 324.415 2.944 20 70 DFIDRO CN(Cc1ccc(F)c(Br)c1)[C@H](C[NH3+])C1CC1 ZINC000159725684 536470060 /nfs/dbraw/zinc/47/00/60/536470060.db2.gz ZTWDZKBYPVOUID-CYBMUJFWSA-N 1 0 301.203 2.757 20 70 DFIDRO O=C(/C=C/c1ccccc1OC(F)F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160511221 527636384 /nfs/dbraw/zinc/63/63/84/527636384.db2.gz LAMGUXOCYASIIG-DTEKQVELSA-N 1 0 322.355 2.654 20 70 DFIDRO CC(C)COc1ccc(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160438659 535224002 /nfs/dbraw/zinc/22/40/02/535224002.db2.gz DCKWXPMBZMOGOL-CALCHBBNSA-N 1 0 316.445 2.617 20 70 DFIDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000161397705 295660271 /nfs/dbraw/zinc/66/02/71/295660271.db2.gz UMCNATCAEZNPCV-KBPBESRZSA-N 1 0 308.447 2.570 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3cc(Cl)ccc31)CC2 ZINC000160531365 282118121 /nfs/dbraw/zinc/11/81/21/282118121.db2.gz RGZJLRSLSCLECV-DZGCQCFKSA-N 1 0 302.809 2.832 20 70 DFIDRO COC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)C(C)C ZINC000160178850 293168251 /nfs/dbraw/zinc/16/82/51/293168251.db2.gz KDCZJBALPLTKPF-RDJZCZTQSA-N 1 0 319.424 2.927 20 70 DFIDRO COc1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1Cl ZINC000159587901 186129037 /nfs/dbraw/zinc/12/90/37/186129037.db2.gz IIAWZCCGKRZIFE-HNNXBMFYSA-N 1 0 324.852 2.503 20 70 DFIDRO CCC(CC)(C[NH2+]CC(=O)Nc1cccc(C)c1C)C(=O)OC ZINC000159676795 186134876 /nfs/dbraw/zinc/13/48/76/186134876.db2.gz UZBKEADHJTXMHA-UHFFFAOYSA-N 1 0 320.433 2.811 20 70 DFIDRO CCC(CC)(C[NH2+]Cc1ncc(C)c(OC)c1C)C(=O)OC ZINC000159681249 186135054 /nfs/dbraw/zinc/13/50/54/186135054.db2.gz CQTJBYGZBDMNLW-UHFFFAOYSA-N 1 0 308.422 2.776 20 70 DFIDRO CCc1ccccc1NC(=O)C[NH2+]CC(CC)(CC)C(=O)OC ZINC000159678471 186135349 /nfs/dbraw/zinc/13/53/49/186135349.db2.gz BDINUIJJQGTBDU-UHFFFAOYSA-N 1 0 320.433 2.757 20 70 DFIDRO [NH3+]C1(CNC(=O)c2ccc(Br)s2)CCCCC1 ZINC000159691458 186136023 /nfs/dbraw/zinc/13/60/23/186136023.db2.gz OOVZGABWLXLMLY-UHFFFAOYSA-N 1 0 317.252 2.902 20 70 DFIDRO CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000159752691 186139969 /nfs/dbraw/zinc/13/99/69/186139969.db2.gz BWRBTNHKRQLRKJ-KSZLIROESA-N 1 0 315.461 2.554 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000161327540 283554251 /nfs/dbraw/zinc/55/42/51/283554251.db2.gz KWQCZBRXPQAPOP-HNNXBMFYSA-N 1 0 304.434 2.573 20 70 DFIDRO Cc1ccc([C@@H](C)CNC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000159448005 398964557 /nfs/dbraw/zinc/96/45/57/398964557.db2.gz BFSLANRIQJPRIL-JKSUJKDBSA-N 1 0 303.450 2.740 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)cc1 ZINC000159500275 398964763 /nfs/dbraw/zinc/96/47/63/398964763.db2.gz NDMSHMLEBZIISU-IUODEOHRSA-N 1 0 313.463 2.538 20 70 DFIDRO [NH3+]C[C@@H]1c2ccccc2CCN1c1nnc(C(F)(F)F)s1 ZINC000160401675 398969857 /nfs/dbraw/zinc/96/98/57/398969857.db2.gz MPMJDEORCKGZGJ-SNVBAGLBSA-N 1 0 314.336 2.619 20 70 DFIDRO Cn1cccc1C[NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000217799888 201525908 /nfs/dbraw/zinc/52/59/08/201525908.db2.gz FVHPUYXTQYXKDK-UHFFFAOYSA-N 1 0 307.438 2.904 20 70 DFIDRO C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)C1CCOCC1 ZINC000160791147 299407383 /nfs/dbraw/zinc/40/73/83/299407383.db2.gz DEMIYKBOYSLAOD-MAUKXSAKSA-N 1 0 316.445 2.755 20 70 DFIDRO COc1ccc(OCCC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161363284 197489810 /nfs/dbraw/zinc/48/98/10/197489810.db2.gz DVNGRNRHXVHGRV-UHFFFAOYSA-N 1 0 321.417 2.739 20 70 DFIDRO CCCOc1ccc(CCC(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000161289609 197481899 /nfs/dbraw/zinc/48/18/99/197481899.db2.gz YBNKNRKXACRCNS-MRXNPFEDSA-N 1 0 304.434 2.618 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000161215011 197475244 /nfs/dbraw/zinc/47/52/44/197475244.db2.gz LQPXQMOPPGPAKW-ZDUSSCGKSA-N 1 0 322.449 2.516 20 70 DFIDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(F)c(Cl)cc1F ZINC000161141659 197468881 /nfs/dbraw/zinc/46/88/81/197468881.db2.gz RMCIWGCOTGOSCG-UHFFFAOYSA-N 1 0 304.768 2.936 20 70 DFIDRO Cc1nn(C)cc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000160711860 197433643 /nfs/dbraw/zinc/43/36/43/197433643.db2.gz BRZGSQLKGWEISJ-SFHVURJKSA-N 1 0 313.401 2.741 20 70 DFIDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CCCCO1 ZINC000160611803 197426150 /nfs/dbraw/zinc/42/61/50/197426150.db2.gz OILCBQYMHYLTHA-KRWDZBQOSA-N 1 0 320.433 2.915 20 70 DFIDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cnn(C)c1 ZINC000160490016 197416365 /nfs/dbraw/zinc/41/63/65/197416365.db2.gz RLVHLAHTFIGVLX-OAHLLOKOSA-N 1 0 313.449 2.902 20 70 DFIDRO C[C@H]1CN(Cc2ccc(Br)c3cccnc23)CC[NH2+]1 ZINC000160382257 197405729 /nfs/dbraw/zinc/40/57/29/197405729.db2.gz KLWKHEVMZHZQRT-NSHDSACASA-N 1 0 320.234 2.791 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)COc1ccc2ccccc2c1 ZINC000160409307 197408509 /nfs/dbraw/zinc/40/85/09/197408509.db2.gz ZESBKLPXFFLMPK-UHFFFAOYSA-N 1 0 300.402 2.852 20 70 DFIDRO [NH3+][C@@H]1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000160297036 197398201 /nfs/dbraw/zinc/39/82/01/197398201.db2.gz SZEQQQJJGCFELF-LLVKDONJSA-N 1 0 307.806 2.637 20 70 DFIDRO CC[C@H](C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000160277062 197397790 /nfs/dbraw/zinc/39/77/90/197397790.db2.gz HRAHSSYTIVNTNU-OLZOCXBDSA-N 1 0 300.324 2.759 20 70 DFIDRO Cc1cncc(/C=C/C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000160259040 197395407 /nfs/dbraw/zinc/39/54/07/197395407.db2.gz FWDCLZOMDFAFIH-QZEKMECESA-N 1 0 309.413 2.822 20 70 DFIDRO Cc1cc(OCCCC(=O)N2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000160192049 197392100 /nfs/dbraw/zinc/39/21/00/197392100.db2.gz JCWKJXREPINHCM-CYBMUJFWSA-N 1 0 310.825 2.757 20 70 DFIDRO CC(C)[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000160051283 197381777 /nfs/dbraw/zinc/38/17/77/197381777.db2.gz HVIQDDQIEFGAKS-KGLIPLIRSA-N 1 0 308.372 2.621 20 70 DFIDRO CC(C)(CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1Cl ZINC000160042999 197381697 /nfs/dbraw/zinc/38/16/97/197381697.db2.gz JPNKDLKYBXXUIN-LLVKDONJSA-N 1 0 312.816 2.873 20 70 DFIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000160147107 197388663 /nfs/dbraw/zinc/38/86/63/197388663.db2.gz XOLCUSNLAHYUCQ-CABCVRRESA-N 1 0 301.438 2.648 20 70 DFIDRO CN(Cc1cc(F)cc(Br)c1)[C@@H](C[NH3+])C1CC1 ZINC000160146841 197388673 /nfs/dbraw/zinc/38/86/73/197388673.db2.gz ZCZFVLJQRDUBHO-ZDUSSCGKSA-N 1 0 301.203 2.757 20 70 DFIDRO O=C(NCCCO[C@@H]1CCCc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000160125570 197388133 /nfs/dbraw/zinc/38/81/33/197388133.db2.gz PPINZAQIKGMWRM-FUHWJXTLSA-N 1 0 316.445 2.587 20 70 DFIDRO O=C(NCCCO[C@H]1CCCc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000160125440 197387917 /nfs/dbraw/zinc/38/79/17/197387917.db2.gz PPINZAQIKGMWRM-WMZOPIPTSA-N 1 0 316.445 2.587 20 70 DFIDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(CCC(F)(F)F)cc2)C1 ZINC000160102856 197386268 /nfs/dbraw/zinc/38/62/68/197386268.db2.gz UQDDYDVAKHTMLJ-CYBMUJFWSA-N 1 0 314.351 2.863 20 70 DFIDRO COc1ccc2cc([C@H](C)C(=O)NCC(C)(C)[NH3+])ccc2c1 ZINC000159983146 197378074 /nfs/dbraw/zinc/37/80/74/197378074.db2.gz WHRKHWDZRFEBTD-LBPRGKRZSA-N 1 0 300.402 2.805 20 70 DFIDRO O=C(Nc1ccc(F)cc1OCC(F)(F)F)C1CC[NH2+]CC1 ZINC000159974341 197377821 /nfs/dbraw/zinc/37/78/21/197377821.db2.gz PHLHKIYEFDPECS-UHFFFAOYSA-N 1 0 320.286 2.705 20 70 DFIDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000159985795 197377601 /nfs/dbraw/zinc/37/76/01/197377601.db2.gz ZGXKZQSYNNGWIW-SJORKVTESA-N 1 0 304.434 2.755 20 70 DFIDRO CC(C)([NH3+])CNC(=O)COc1ccccc1Cc1ccccc1 ZINC000159950482 197376074 /nfs/dbraw/zinc/37/60/74/197376074.db2.gz UXUXZBWGYNRBOK-UHFFFAOYSA-N 1 0 312.413 2.510 20 70 DFIDRO CCn1nccc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000159882352 197370661 /nfs/dbraw/zinc/37/06/61/197370661.db2.gz FURTXFJPACXQMG-MRXNPFEDSA-N 1 0 302.422 2.813 20 70 DFIDRO C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccccn1 ZINC000159830022 197367135 /nfs/dbraw/zinc/36/71/35/197367135.db2.gz LSQGOSMFCLMASE-OAHLLOKOSA-N 1 0 318.465 2.906 20 70 DFIDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCc3cccc(F)c3C2)C1 ZINC000159776470 197363405 /nfs/dbraw/zinc/36/34/05/197363405.db2.gz HSRAARCMKJOWAT-CQSZACIVSA-N 1 0 319.424 2.625 20 70 DFIDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cc(C)cc(OC)c2)C1 ZINC000159763536 197362448 /nfs/dbraw/zinc/36/24/48/197362448.db2.gz IRGRMBHBUDYUHD-OAHLLOKOSA-N 1 0 319.449 2.535 20 70 DFIDRO [NH3+]C1(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CCCCC1 ZINC000159767888 197362314 /nfs/dbraw/zinc/36/23/14/197362314.db2.gz WEGZBAIDMKKAFA-STQMWFEESA-N 1 0 308.372 2.846 20 70 DFIDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCN1CCCC1=O ZINC000159529013 197360431 /nfs/dbraw/zinc/36/04/31/197360431.db2.gz QRLJDINSUWBTKM-QGZVFWFLSA-N 1 0 306.425 2.995 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000159455293 197355456 /nfs/dbraw/zinc/35/54/56/197355456.db2.gz MXMRQPHCBDKIHC-PXAZEXFGSA-N 1 0 324.852 2.922 20 70 DFIDRO CC(C)[N@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159423623 197352544 /nfs/dbraw/zinc/35/25/44/197352544.db2.gz ZAKGGYGCIBXEGJ-UHFFFAOYSA-N 1 0 317.183 2.560 20 70 DFIDRO CCc1nnc(C[NH2+][C@](C)(CC)COc2ncccc2Cl)[nH]1 ZINC000159413644 197351334 /nfs/dbraw/zinc/35/13/34/197351334.db2.gz LIFMKUGUSZXSGV-OAHLLOKOSA-N 1 0 323.828 2.753 20 70 DFIDRO O=C(CSCc1cccc(Cl)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159367643 197348186 /nfs/dbraw/zinc/34/81/86/197348186.db2.gz NGGJMYUXEAQRCM-INIZCTEOSA-N 1 0 324.877 2.785 20 70 DFIDRO Cc1nccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1Cl ZINC000159920685 542720076 /nfs/dbraw/zinc/72/00/76/542720076.db2.gz HPEGKXRNYSASDE-JQWIXIFHSA-N 1 0 308.813 2.744 20 70 DFIDRO Cc1nccc(NC(=O)N2CC[NH+](CC3CC3)CC2)c1Cl ZINC000159970867 542720265 /nfs/dbraw/zinc/72/02/65/542720265.db2.gz JLHIMUFIDZWVFV-UHFFFAOYSA-N 1 0 308.813 2.603 20 70 DFIDRO O=C(c1ccc(OC2CCCC2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160288508 542721520 /nfs/dbraw/zinc/72/15/20/542721520.db2.gz JCUVMAVNBIVGAV-IYBDPMFKSA-N 1 0 314.429 2.975 20 70 DFIDRO CC[C@H](C(=O)NCCc1c(Cl)cccc1Cl)[NH+](C)C ZINC000161192743 542727899 /nfs/dbraw/zinc/72/78/99/542727899.db2.gz CRUPFLISGGKOTP-CYBMUJFWSA-N 1 0 303.233 2.992 20 70 DFIDRO C[N@H+](CCCCS(C)(=O)=O)Cc1ccc(C(F)(F)F)cc1 ZINC000161169616 542727978 /nfs/dbraw/zinc/72/79/78/542727978.db2.gz QIQZXEDOGIRUII-UHFFFAOYSA-N 1 0 323.380 2.962 20 70 DFIDRO Cc1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC000161302179 542728361 /nfs/dbraw/zinc/72/83/61/542728361.db2.gz JGRGEJJEUPTZKY-INIZCTEOSA-N 1 0 316.380 2.954 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2sccc2Br)C1 ZINC000161313201 542728714 /nfs/dbraw/zinc/72/87/14/542728714.db2.gz XRWJHDAVIPCPFF-HTQZYQBOSA-N 1 0 303.225 2.510 20 70 DFIDRO COc1ccc(SCCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161331166 542728942 /nfs/dbraw/zinc/72/89/42/542728942.db2.gz ZMCLYQLBZMJYCA-STQMWFEESA-N 1 0 308.447 2.564 20 70 DFIDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc(Br)cc3)CC[C@@H]2N1 ZINC000160743899 542724499 /nfs/dbraw/zinc/72/44/99/542724499.db2.gz MRZWMFXURJWNHZ-OCCSQVGLSA-N 1 0 323.234 2.550 20 70 DFIDRO Cc1ccc(OCCCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000160790263 542724828 /nfs/dbraw/zinc/72/48/28/542724828.db2.gz GQJDJQKFDREIPS-HZPDHXFCSA-N 1 0 304.434 2.849 20 70 DFIDRO Cc1cc(C(=O)CCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(C)s1 ZINC000160934831 542725886 /nfs/dbraw/zinc/72/58/86/542725886.db2.gz RKGPPGFVOWUGOY-OLZOCXBDSA-N 1 0 308.447 2.714 20 70 DFIDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H](C)c1ccncc1 ZINC000160930932 542725921 /nfs/dbraw/zinc/72/59/21/542725921.db2.gz HKOBORNQLPVIAC-DJIMGWMZSA-N 1 0 301.434 2.660 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000159569772 145220049 /nfs/dbraw/zinc/22/00/49/145220049.db2.gz PSGVJBVPAYIUHX-HNNXBMFYSA-N 1 0 310.438 2.612 20 70 DFIDRO COC(=O)c1ccc(C[NH+]2CCC(c3cnn(C)c3)CC2)cc1 ZINC000160441393 145220977 /nfs/dbraw/zinc/22/09/77/145220977.db2.gz LPVVZHRYULZIFL-UHFFFAOYSA-N 1 0 313.401 2.586 20 70 DFIDRO COC[C@H](Cc1ccccc1)[NH2+]CCCc1nc(C(C)C)no1 ZINC000160797495 145221650 /nfs/dbraw/zinc/22/16/50/145221650.db2.gz MZCXEZRTGVEEGF-INIZCTEOSA-N 1 0 317.433 2.973 20 70 DFIDRO O=C(N[C@H](COCc1ccccc1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000159962458 267534893 /nfs/dbraw/zinc/53/48/93/267534893.db2.gz KDBJAGBJKAPJAR-RBUKOAKNSA-N 1 0 324.424 2.670 20 70 DFIDRO CC(=O)N(C)c1cccc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000160333213 267537390 /nfs/dbraw/zinc/53/73/90/267537390.db2.gz GHLYPYWWJAIQES-HIFRSBDPSA-N 1 0 317.433 2.634 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1cnc2onc(C(C)C)c2c1 ZINC000160529664 267539865 /nfs/dbraw/zinc/53/98/65/267539865.db2.gz JPUNIOJSDRWJHF-UHFFFAOYSA-N 1 0 304.394 2.594 20 70 DFIDRO CCn1ccnc1C[NH2+][C@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC000217803970 268140080 /nfs/dbraw/zinc/14/00/80/268140080.db2.gz SETKRNRGPWMIIY-AWEZNQCLSA-N 1 0 324.469 2.932 20 70 DFIDRO CC(C)c1ncc(C(=O)N(CCC#N)CCC[NH+](C)C)s1 ZINC000160359509 425980715 /nfs/dbraw/zinc/98/07/15/425980715.db2.gz LYOZGVLWCYLCMT-UHFFFAOYSA-N 1 0 308.451 2.574 20 70 DFIDRO CC[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160365299 425980903 /nfs/dbraw/zinc/98/09/03/425980903.db2.gz UNIPZXKZKJUATM-WMZOPIPTSA-N 1 0 318.461 2.533 20 70 DFIDRO O=C(c1cc2c(s1)CCCCC2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160363203 425980993 /nfs/dbraw/zinc/98/09/93/425980993.db2.gz JOPKDQQSENHHMQ-OKILXGFUSA-N 1 0 304.459 2.984 20 70 DFIDRO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c(F)c1 ZINC000160393779 425981431 /nfs/dbraw/zinc/98/14/31/425981431.db2.gz YANWEUNWHAAABV-CYBMUJFWSA-N 1 0 308.397 2.685 20 70 DFIDRO [NH3+]C1(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)CCCCC1 ZINC000160398584 425982260 /nfs/dbraw/zinc/98/22/60/425982260.db2.gz RDPSKDSDLXYPEM-HNNXBMFYSA-N 1 0 304.409 2.878 20 70 DFIDRO CC1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)cn2)CC1 ZINC000160467714 425983986 /nfs/dbraw/zinc/98/39/86/425983986.db2.gz OKWFORDJPVGFRN-SJLPKXTDSA-N 1 0 316.493 2.890 20 70 DFIDRO Cc1ccc(N2CC[C@H](N3CCC([NH2+]C(C)C)CC3)C2=O)cc1 ZINC000160500052 425985496 /nfs/dbraw/zinc/98/54/96/425985496.db2.gz BTZODNWIWUAWNF-SFHVURJKSA-N 1 0 315.461 2.563 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c2ccccc12 ZINC000160541181 425986414 /nfs/dbraw/zinc/98/64/14/425986414.db2.gz PJHVTFUBHBJROC-MRXNPFEDSA-N 1 0 313.445 2.947 20 70 DFIDRO O=C(CSCc1ccc(Cl)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160553830 425987808 /nfs/dbraw/zinc/98/78/08/425987808.db2.gz MDNZAMWTIDTQKP-GASCZTMLSA-N 1 0 324.877 2.926 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000160570850 425988029 /nfs/dbraw/zinc/98/80/29/425988029.db2.gz IWYLENNQETVWEN-LLVKDONJSA-N 1 0 311.407 2.507 20 70 DFIDRO CC(C)[C@@H](CCc1ccccc1)[NH2+]CC(=O)NCC(F)(F)F ZINC000160602567 425988787 /nfs/dbraw/zinc/98/87/87/425988787.db2.gz YOUXUCXFWPKYGD-CQSZACIVSA-N 1 0 316.367 2.912 20 70 DFIDRO C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160607092 425990016 /nfs/dbraw/zinc/99/00/16/425990016.db2.gz BENSAZOIPJEOJZ-KBPBESRZSA-N 1 0 307.507 2.884 20 70 DFIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](CC)[C@H]2CCOC2)c1 ZINC000160625329 425990239 /nfs/dbraw/zinc/99/02/39/425990239.db2.gz RWPYHTGUGSESIZ-IRXDYDNUSA-N 1 0 304.434 2.731 20 70 DFIDRO CCCCOC(=O)CC[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000160637750 425990698 /nfs/dbraw/zinc/99/06/98/425990698.db2.gz CFVNRDOEMSRYGW-UHFFFAOYSA-N 1 0 307.438 2.816 20 70 DFIDRO CCCOc1cccc(CC(=O)NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000160699540 425993033 /nfs/dbraw/zinc/99/30/33/425993033.db2.gz DVVQJAHYUJSQNH-MRXNPFEDSA-N 1 0 304.434 2.618 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C1 ZINC000160729107 425993994 /nfs/dbraw/zinc/99/39/94/425993994.db2.gz UDBWOSLCSHHNJQ-MRXNPFEDSA-N 1 0 315.804 2.836 20 70 DFIDRO Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000160772353 425995162 /nfs/dbraw/zinc/99/51/62/425995162.db2.gz CGLRNHUXXMAJIP-WQVCFCJDSA-N 1 0 319.449 2.728 20 70 DFIDRO Cc1ccc([C@@H]2CSCCN2C(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000160771409 425995513 /nfs/dbraw/zinc/99/55/13/425995513.db2.gz HZMPTELKRVDTRR-HOTGVXAUSA-N 1 0 304.459 2.611 20 70 DFIDRO C[C@H]1CCC[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)C1 ZINC000160790203 425996399 /nfs/dbraw/zinc/99/63/99/425996399.db2.gz IEXBMLBRBCAYTL-LSDHHAIUSA-N 1 0 316.449 2.598 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)C1 ZINC000160795322 425996824 /nfs/dbraw/zinc/99/68/24/425996824.db2.gz CEKSBOXBQCYRTJ-ZJUUUORDSA-N 1 0 317.216 2.581 20 70 DFIDRO CC[NH+](CC)CCNC(=O)NCc1ccccc1OCC1CC1 ZINC000160844795 425997486 /nfs/dbraw/zinc/99/74/86/425997486.db2.gz ZTUYWTSEHISRJC-UHFFFAOYSA-N 1 0 319.449 2.616 20 70 DFIDRO CC(C)n1ccnc1CN1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160852095 425998727 /nfs/dbraw/zinc/99/87/27/425998727.db2.gz QNMVRUIKIMKLFT-BBWFWOEESA-N 1 0 320.481 2.538 20 70 DFIDRO CC[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccc(F)cc1F ZINC000160912553 426001358 /nfs/dbraw/zinc/00/13/58/426001358.db2.gz AWZISMKUPUFSRQ-YOEHRIQHSA-N 1 0 310.388 2.869 20 70 DFIDRO COc1cc(C)cc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000160906907 426002012 /nfs/dbraw/zinc/00/20/12/426002012.db2.gz CKODOKGUKYZQJM-HZPDHXFCSA-N 1 0 319.449 2.676 20 70 DFIDRO c1nc2ccccn2c1CN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000160956507 426002917 /nfs/dbraw/zinc/00/29/17/426002917.db2.gz NNHXLVOZHBIWTE-LZLYRXPVSA-N 1 0 310.445 2.641 20 70 DFIDRO COC[C@@H]([NH2+]C1CCN(Cc2cccc(C)c2)CC1)C1CC1 ZINC000159364908 425959527 /nfs/dbraw/zinc/95/95/27/425959527.db2.gz MKJRCZMKVRNZNX-LJQANCHMSA-N 1 0 302.462 2.974 20 70 DFIDRO COc1ccc2cc(C[N@@H+]3C[C@H](C(N)=O)CC[C@@H]3C)ccc2c1 ZINC000159534819 425961400 /nfs/dbraw/zinc/96/14/00/425961400.db2.gz JVCKJJCVJXXPTL-SUMWQHHRSA-N 1 0 312.413 2.934 20 70 DFIDRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)C(C)(C)C[NH3+])cc1 ZINC000159532932 425962088 /nfs/dbraw/zinc/96/20/88/425962088.db2.gz BHPDASMHUWSDBG-JKSUJKDBSA-N 1 0 304.434 2.564 20 70 DFIDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCSC1 ZINC000159568635 425962884 /nfs/dbraw/zinc/96/28/84/425962884.db2.gz ZOZOXKDBFJXHGV-YPMHNXCESA-N 1 0 323.418 2.797 20 70 DFIDRO CC(C)(C)[NH2+]CCNC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000161022372 426005079 /nfs/dbraw/zinc/00/50/79/426005079.db2.gz RWFOERMGADOGFV-UHFFFAOYSA-N 1 0 305.353 2.599 20 70 DFIDRO Cc1ccc(-c2noc(CN(C)C[C@@H]3CCC[C@@H]3O)n2)cc1F ZINC000159656973 425964983 /nfs/dbraw/zinc/96/49/83/425964983.db2.gz ZJHRTBVGIDMJPJ-ZFWWWQNUSA-N 1 0 319.380 2.777 20 70 DFIDRO C[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)C[C@@H]1CCC[C@@H]1O ZINC000159687391 425965093 /nfs/dbraw/zinc/96/50/93/425965093.db2.gz GZHMHHHBZXEPNO-HOTGVXAUSA-N 1 0 311.385 2.806 20 70 DFIDRO COc1ccccc1CCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159753832 425967149 /nfs/dbraw/zinc/96/71/49/425967149.db2.gz YNCZHEBQABWAJN-UHFFFAOYSA-N 1 0 316.445 2.618 20 70 DFIDRO C[NH+](C)[C@H]1CCN(c2ncc(Cl)cc2Br)C1 ZINC000159800721 425967725 /nfs/dbraw/zinc/96/77/25/425967725.db2.gz CFJFGBRQLQHYIR-VIFPVBQESA-N 1 0 304.619 2.638 20 70 DFIDRO Cc1cc(Br)cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000159815334 425968194 /nfs/dbraw/zinc/96/81/94/425968194.db2.gz ULPRRCJVXOLPBO-CYBMUJFWSA-N 1 0 311.223 2.567 20 70 DFIDRO C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)C1CC[NH2+]CC1 ZINC000159836099 425968559 /nfs/dbraw/zinc/96/85/59/425968559.db2.gz NKMMDEXVWQCJJK-MLGOLLRUSA-N 1 0 322.836 2.628 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000160012607 425972751 /nfs/dbraw/zinc/97/27/51/425972751.db2.gz JOIFLFOUBQTJDK-MRXNPFEDSA-N 1 0 323.481 2.606 20 70 DFIDRO C[C@@H]1C[C@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CCN1C ZINC000160000182 425972980 /nfs/dbraw/zinc/97/29/80/425972980.db2.gz CYJJNKKOMBVYIG-NVXWUHKLSA-N 1 0 323.525 2.686 20 70 DFIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccc(Cl)cc1 ZINC000160012221 425973037 /nfs/dbraw/zinc/97/30/37/425973037.db2.gz YCGRHHOIGUWCCK-ZENOOKHLSA-N 1 0 308.809 2.811 20 70 DFIDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000160010995 425973485 /nfs/dbraw/zinc/97/34/85/425973485.db2.gz PTSAGPCWRYSMPY-KRWDZBQOSA-N 1 0 310.401 2.909 20 70 DFIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCOc1ccc(F)cc1F ZINC000160096739 425973762 /nfs/dbraw/zinc/97/37/62/425973762.db2.gz SZCHCNQYLWRNKV-AWEZNQCLSA-N 1 0 307.344 2.744 20 70 DFIDRO COc1cccc(Cl)c1CC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000160112572 425974726 /nfs/dbraw/zinc/97/47/26/425974726.db2.gz RVVRESAVOBWRNX-OAHLLOKOSA-N 1 0 324.852 2.690 20 70 DFIDRO COCC[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160185986 425975981 /nfs/dbraw/zinc/97/59/81/425975981.db2.gz YQGZDYZSZVUZKX-ZFWWWQNUSA-N 1 0 305.397 2.681 20 70 DFIDRO Cc1cccc([C@H](NC(=O)[C@@H]2CCC[N@H+]2C)c2ccccn2)c1 ZINC000160212077 425976011 /nfs/dbraw/zinc/97/60/11/425976011.db2.gz NVPDJYJJXUJURW-ROUUACIJSA-N 1 0 309.413 2.690 20 70 DFIDRO Cn1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000160181536 425976815 /nfs/dbraw/zinc/97/68/15/425976815.db2.gz AOUIWYXVYDJJAW-QGZVFWFLSA-N 1 0 300.402 2.912 20 70 DFIDRO O=C(NCCc1cccc(O)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160239803 425977360 /nfs/dbraw/zinc/97/73/60/425977360.db2.gz JNDVVDYACKJLFT-IBGZPJMESA-N 1 0 324.424 2.716 20 70 DFIDRO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161015753 426005507 /nfs/dbraw/zinc/00/55/07/426005507.db2.gz KDYIAHUXNPVCHL-VXIBKDFQSA-N 1 0 322.493 2.651 20 70 DFIDRO CC[NH+](CC)Cc1ccc(CNC(=O)C(C)(C)COC)cc1 ZINC000160314818 425979159 /nfs/dbraw/zinc/97/91/59/425979159.db2.gz NFLPKVFGPAACQL-UHFFFAOYSA-N 1 0 306.450 2.817 20 70 DFIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000161419866 426022845 /nfs/dbraw/zinc/02/28/45/426022845.db2.gz PKWZKCPOBSDUEQ-ZBFHGGJFSA-N 1 0 310.463 2.523 20 70 DFIDRO COC(=O)C1=NOC2(C1)CC[NH+](Cc1c(C)cccc1C)CC2 ZINC000161447452 426024304 /nfs/dbraw/zinc/02/43/04/426024304.db2.gz USLRSNWJQVYHHZ-UHFFFAOYSA-N 1 0 316.401 2.587 20 70 DFIDRO C=CCN(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000161430344 426024662 /nfs/dbraw/zinc/02/46/62/426024662.db2.gz HYSXKOUHWSQYQY-UHFFFAOYSA-N 1 0 301.434 3.000 20 70 DFIDRO CC1(C)CN(CC(F)(F)F)CCN1CCC[NH+]1CCCCC1 ZINC000161465460 426025449 /nfs/dbraw/zinc/02/54/49/426025449.db2.gz GLZAAJAHLMNDTL-UHFFFAOYSA-N 1 0 321.431 2.821 20 70 DFIDRO C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CCOC(C)(C)C2)cc1 ZINC000161463537 426025514 /nfs/dbraw/zinc/02/55/14/426025514.db2.gz MVQFNBQPWJXPSO-MRXNPFEDSA-N 1 0 319.449 2.505 20 70 DFIDRO COc1ccccc1[C@H](C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161486722 426026635 /nfs/dbraw/zinc/02/66/35/426026635.db2.gz FILVMWGTJUSWEU-JZWPEALZSA-N 1 0 316.445 2.930 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000161510928 426027873 /nfs/dbraw/zinc/02/78/73/426027873.db2.gz ZEMFNRMBRUGNJS-VNCLNFNDSA-N 1 0 317.477 2.544 20 70 DFIDRO CC[C@](C)(O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000161064479 426008373 /nfs/dbraw/zinc/00/83/73/426008373.db2.gz MIELIUGJURMCBJ-IBGZPJMESA-N 1 0 302.462 2.922 20 70 DFIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](COC)C(C)C)c1 ZINC000161113962 426008691 /nfs/dbraw/zinc/00/86/91/426008691.db2.gz YBXZDCPEKMQBLT-PBHICJAKSA-N 1 0 306.450 2.976 20 70 DFIDRO C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)C1CC1 ZINC000161154917 426011597 /nfs/dbraw/zinc/01/15/97/426011597.db2.gz TWVAODVTNJCVPB-XPKDYRNWSA-N 1 0 308.372 2.525 20 70 DFIDRO Cc1ccccc1O[C@@H](C)CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161172228 426011635 /nfs/dbraw/zinc/01/16/35/426011635.db2.gz LMNJFKGUSXFFFR-XYTVBORESA-N 1 0 316.445 2.799 20 70 DFIDRO C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)C1CC1 ZINC000161155035 426011657 /nfs/dbraw/zinc/01/16/57/426011657.db2.gz TWVAODVTNJCVPB-XNRPHZJLSA-N 1 0 308.372 2.525 20 70 DFIDRO CCC[N@H+](CCO)Cc1cccc(OCC)c1OC(F)F ZINC000161200952 426012460 /nfs/dbraw/zinc/01/24/60/426012460.db2.gz QFIPWGXDYZZGRL-UHFFFAOYSA-N 1 0 303.349 2.891 20 70 DFIDRO CC1(O)CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000161190681 426013071 /nfs/dbraw/zinc/01/30/71/426013071.db2.gz CKJVLPAWZALMDB-UHFFFAOYSA-N 1 0 307.419 2.578 20 70 DFIDRO CC1CCC(N(C[C@@H]2CCCO2)C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000161225115 426013677 /nfs/dbraw/zinc/01/36/77/426013677.db2.gz TWOLZQCAZGCHHH-MYBQVCMBSA-N 1 0 308.466 2.715 20 70 DFIDRO CCN1CCCC[C@H]1C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000161212972 426013744 /nfs/dbraw/zinc/01/37/44/426013744.db2.gz QXDYVOXRZVDLKP-IBGZPJMESA-N 1 0 316.493 2.510 20 70 DFIDRO CCC[N@H+](CCO)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000161211120 426013780 /nfs/dbraw/zinc/01/37/80/426013780.db2.gz CHLUXTYNBLGMQI-UHFFFAOYSA-N 1 0 315.339 2.796 20 70 DFIDRO CC(=O)NC1CCC([NH2+]CCOc2ccc(Cl)cc2)CC1 ZINC000161208670 426014179 /nfs/dbraw/zinc/01/41/79/426014179.db2.gz STVSYHPDOYNECP-UHFFFAOYSA-N 1 0 310.825 2.756 20 70 DFIDRO CCOC(=O)[C@@H]1CCCCN1Cc1ccc(OCCOC)cc1 ZINC000161276833 426015781 /nfs/dbraw/zinc/01/57/81/426015781.db2.gz IOOSHXKGWNZGQJ-KRWDZBQOSA-N 1 0 321.417 2.629 20 70 DFIDRO C=C(C)CNC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000161260642 426016194 /nfs/dbraw/zinc/01/61/94/426016194.db2.gz ULQKYVDEODFGGS-QGZVFWFLSA-N 1 0 317.433 2.707 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000161284301 426017215 /nfs/dbraw/zinc/01/72/15/426017215.db2.gz GSKOUXLZTFTLHJ-UHFFFAOYSA-N 1 0 311.495 2.864 20 70 DFIDRO CCC1(CO)CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000161305188 426018155 /nfs/dbraw/zinc/01/81/55/426018155.db2.gz RZPKUXZGJNNMEM-UHFFFAOYSA-N 1 0 324.509 2.756 20 70 DFIDRO CCC[C@@H](C(=O)N(C)Cc1cnn(-c2ccccc2)c1)[NH+](C)C ZINC000161315815 426018563 /nfs/dbraw/zinc/01/85/63/426018563.db2.gz RTLNNRMPGIFOBK-KRWDZBQOSA-N 1 0 314.433 2.561 20 70 DFIDRO CCC[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[NH+](C)C ZINC000161304212 426018687 /nfs/dbraw/zinc/01/86/87/426018687.db2.gz USSKNEKVXPADHA-HUUCEWRRSA-N 1 0 323.506 2.732 20 70 DFIDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000161320077 426018922 /nfs/dbraw/zinc/01/89/22/426018922.db2.gz CDCZAGZNIQXTBI-MRVWCRGKSA-N 1 0 308.372 2.526 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@@H]2CCN(C)c3ccccc32)CC1 ZINC000161337342 426020160 /nfs/dbraw/zinc/02/01/60/426020160.db2.gz OVOXCLFRBSYZLQ-GTPINHCMSA-N 1 0 315.461 2.647 20 70 DFIDRO COc1ccc(OCCC[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161363152 426020524 /nfs/dbraw/zinc/02/05/24/426020524.db2.gz CYFLIBCXFDPLDR-UHFFFAOYSA-N 1 0 320.433 2.501 20 70 DFIDRO CCc1ccc([C@@H](CNC(=O)[C@H]2CCCCO2)[NH+](C)C)cc1 ZINC000161395838 426022365 /nfs/dbraw/zinc/02/23/65/426022365.db2.gz QJPBJEBPDDIRLF-IAGOWNOFSA-N 1 0 304.434 2.537 20 70 DFIDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCCCO1 ZINC000218145612 426566295 /nfs/dbraw/zinc/56/62/95/426566295.db2.gz GVLWFKMTUCRPJK-GFCCVEGCSA-N 1 0 300.196 2.813 20 70 DFIDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217852094 426566417 /nfs/dbraw/zinc/56/64/17/426566417.db2.gz HKNCIAVATUCYMB-PELKAZGASA-N 1 0 322.243 2.790 20 70 DFIDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COC(C)C)c(OC)c1 ZINC000216900156 426561830 /nfs/dbraw/zinc/56/18/30/426561830.db2.gz KYXRJQAEVYABSC-PBHICJAKSA-N 1 0 323.433 2.627 20 70 DFIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCOC(C)C ZINC000217034509 426563345 /nfs/dbraw/zinc/56/33/45/426563345.db2.gz QWFMAMJLBITVFV-MRXNPFEDSA-N 1 0 313.486 2.755 20 70 DFIDRO CC[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(N(C)C)cc1 ZINC000159524327 288039824 /nfs/dbraw/zinc/03/98/24/288039824.db2.gz AITKMQCBWLWBMM-KRWDZBQOSA-N 1 0 303.450 2.806 20 70 DFIDRO O=C1CCCN1CCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000159559272 280251055 /nfs/dbraw/zinc/25/10/55/280251055.db2.gz KFYMNBUXHYXZGE-INIZCTEOSA-N 1 0 304.459 2.619 20 70 DFIDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccn1 ZINC000159361443 295375804 /nfs/dbraw/zinc/37/58/04/295375804.db2.gz HIPDXQBKQFRQDG-AEFFLSMTSA-N 1 0 323.440 2.966 20 70 DFIDRO COCCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159552940 295378093 /nfs/dbraw/zinc/37/80/93/295378093.db2.gz SDAGTUXACSCHAJ-KSZLIROESA-N 1 0 317.429 2.759 20 70 DFIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000159575060 295378558 /nfs/dbraw/zinc/37/85/58/295378558.db2.gz OSLPQDHYTFQFSG-ILXRZTDVSA-N 1 0 314.429 2.718 20 70 DFIDRO COC(=O)c1sccc1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159597515 295378949 /nfs/dbraw/zinc/37/89/49/295378949.db2.gz SQMGJZJOCCZLSL-AAEUAGOBSA-N 1 0 322.430 2.738 20 70 DFIDRO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000159613374 295379061 /nfs/dbraw/zinc/37/90/61/295379061.db2.gz OODZMNFODJBJCK-CHWSQXEVSA-N 1 0 322.453 2.569 20 70 DFIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000159687933 295380282 /nfs/dbraw/zinc/38/02/82/295380282.db2.gz MIAKWESNTLOQDQ-MAZHCROVSA-N 1 0 322.836 2.538 20 70 DFIDRO CCC[NH+]1CCC(NC(=O)c2cnn(CC(C)C)c2CC)CC1 ZINC000159750884 295381181 /nfs/dbraw/zinc/38/11/81/295381181.db2.gz OYPZWUMPWFLBMK-UHFFFAOYSA-N 1 0 320.481 2.706 20 70 DFIDRO CC(C)[N@H+](CCC(=O)N1CCC[C@@H]1C)CCc1nccs1 ZINC000159801354 295381506 /nfs/dbraw/zinc/38/15/06/295381506.db2.gz BZAZDZOGLKUHEV-AWEZNQCLSA-N 1 0 309.479 2.797 20 70 DFIDRO C[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000159817279 295382209 /nfs/dbraw/zinc/38/22/09/295382209.db2.gz AAXGPESFVJCMHM-OAHLLOKOSA-N 1 0 308.466 2.526 20 70 DFIDRO CC[NH+](CC)CCS[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000159837332 295382408 /nfs/dbraw/zinc/38/24/08/295382408.db2.gz WARHMGXRJZRYJU-LLVKDONJSA-N 1 0 312.401 2.615 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)C[C@H](O)COC(C)(C)C ZINC000159865281 295382915 /nfs/dbraw/zinc/38/29/15/295382915.db2.gz CRXUNYRLWQVAPH-ZDUSSCGKSA-N 1 0 300.468 2.572 20 70 DFIDRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000159896428 295383385 /nfs/dbraw/zinc/38/33/85/295383385.db2.gz FLNCRUQNRJWVSK-CHWSQXEVSA-N 1 0 306.454 2.511 20 70 DFIDRO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2)cc1NC(C)=O ZINC000159976969 295384604 /nfs/dbraw/zinc/38/46/04/295384604.db2.gz VKAUUOVXFDOOTP-UHFFFAOYSA-N 1 0 309.369 2.815 20 70 DFIDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC1(C(N)=O)CCOCC1 ZINC000159977576 295384664 /nfs/dbraw/zinc/38/46/64/295384664.db2.gz BJLGKJRZTCRJLJ-RAXLEYEMSA-N 1 0 322.836 2.615 20 70 DFIDRO CCc1ccc(S(=O)(=O)NC2CC[NH+](CC)CC2)cc1CC ZINC000160016420 295385007 /nfs/dbraw/zinc/38/50/07/295385007.db2.gz QXKGPKCBLYMZQO-UHFFFAOYSA-N 1 0 324.490 2.574 20 70 DFIDRO CC1CCC([NH+]2CCN(C(=O)[C@@H]3CCC(=O)C[C@@H]3C)CC2)CC1 ZINC000160009699 295385189 /nfs/dbraw/zinc/38/51/89/295385189.db2.gz KAEVEODABUYDJZ-VLWBHCEFSA-N 1 0 320.477 2.715 20 70 DFIDRO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000160030635 295385515 /nfs/dbraw/zinc/38/55/15/295385515.db2.gz QUFQJEGMDCQMJK-RISCZKNCSA-N 1 0 324.469 2.670 20 70 DFIDRO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000160030886 295385529 /nfs/dbraw/zinc/38/55/29/295385529.db2.gz QUFQJEGMDCQMJK-BXUZGUMPSA-N 1 0 324.469 2.670 20 70 DFIDRO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cccc(Cl)c2F)N1 ZINC000160145398 295386740 /nfs/dbraw/zinc/38/67/40/295386740.db2.gz PXBPJSBGQKUTIL-CYBMUJFWSA-N 1 0 315.739 2.925 20 70 DFIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000160251524 295388890 /nfs/dbraw/zinc/38/88/90/295388890.db2.gz CFUKYGHRNUZBNQ-OCCSQVGLSA-N 1 0 311.447 2.613 20 70 DFIDRO CCC(CC)n1ncc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1C ZINC000160448301 295391227 /nfs/dbraw/zinc/39/12/27/295391227.db2.gz NCAIZDHCVYJRRU-INIZCTEOSA-N 1 0 306.454 2.623 20 70 DFIDRO CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000160458865 295391528 /nfs/dbraw/zinc/39/15/28/295391528.db2.gz ACALHEFODUZJJM-AWEZNQCLSA-N 1 0 312.454 2.933 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)Cc2coc3ccc4ccccc4c23)C1 ZINC000160468525 295391752 /nfs/dbraw/zinc/39/17/52/295391752.db2.gz MIFSWXHIENSKDH-HNNXBMFYSA-N 1 0 308.381 2.949 20 70 DFIDRO CCOc1ccc(CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160484978 295392190 /nfs/dbraw/zinc/39/21/90/295392190.db2.gz FYNTZTRQDFVKGE-QGZVFWFLSA-N 1 0 318.461 2.864 20 70 DFIDRO Cc1cc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc(C)c1F ZINC000160623845 295393910 /nfs/dbraw/zinc/39/39/10/295393910.db2.gz IKISYVFHHYGSCW-SNVBAGLBSA-N 1 0 306.303 2.772 20 70 DFIDRO CC[NH+](CC)[C@H](C(=O)N[C@H](CO)CC(C)C)c1ccccc1 ZINC000161040388 295397599 /nfs/dbraw/zinc/39/75/99/295397599.db2.gz NUWNUNDUPGAQEY-IRXDYDNUSA-N 1 0 306.450 2.593 20 70 DFIDRO CCCC[NH+]1CCC(NC(=O)c2cnn(CC(C)C)c2C)CC1 ZINC000161045903 295398155 /nfs/dbraw/zinc/39/81/55/295398155.db2.gz DEFSAILAALEWBT-UHFFFAOYSA-N 1 0 320.481 2.842 20 70 DFIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C1CCOCC1 ZINC000161217305 295399938 /nfs/dbraw/zinc/39/99/38/295399938.db2.gz ISRISAASEHZEEI-DOTOQJQBSA-N 1 0 310.482 2.676 20 70 DFIDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2=O)C1(C)C ZINC000161287578 295400739 /nfs/dbraw/zinc/40/07/39/295400739.db2.gz LTCIRSFIWHJVKF-VNQPRFMTSA-N 1 0 320.408 2.724 20 70 DFIDRO CCOC(=O)[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)[C@@H](C)CC ZINC000161504848 295403913 /nfs/dbraw/zinc/40/39/13/295403913.db2.gz XQFIFKHFZLTMOU-JLJPHGGASA-N 1 0 320.433 2.561 20 70 DFIDRO C[NH+](C)CCCN(CCC#N)C(=O)CCc1ccc(F)cc1F ZINC000161324837 332904417 /nfs/dbraw/zinc/90/44/17/332904417.db2.gz QNRCVDZNWZSZRK-UHFFFAOYSA-N 1 0 323.387 2.591 20 70 DFIDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1c(Cl)cccc1OC ZINC000160484147 521650553 /nfs/dbraw/zinc/65/05/53/521650553.db2.gz BDVXOMDCCCJSOL-ZDUSSCGKSA-N 1 0 324.852 2.834 20 70 DFIDRO CCSCC[NH+]1CCC(C(=O)Nc2cccc(C)n2)CC1 ZINC000159373495 521706339 /nfs/dbraw/zinc/70/63/39/521706339.db2.gz OVRCTHPHLPYTIA-UHFFFAOYSA-N 1 0 307.463 2.794 20 70 DFIDRO CN(C)[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000159666513 522004505 /nfs/dbraw/zinc/00/45/05/522004505.db2.gz RGQSPHSEZUFCKZ-GOSISDBHSA-N 1 0 317.477 2.718 20 70 DFIDRO CC[C@H](COC)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161130924 522261432 /nfs/dbraw/zinc/26/14/32/522261432.db2.gz ZQJLRGWJOXLJBU-ZIAGYGMSSA-N 1 0 312.404 2.944 20 70 DFIDRO COC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)C(C)C ZINC000160178712 522380566 /nfs/dbraw/zinc/38/05/66/522380566.db2.gz KDCZJBALPLTKPF-DOTOQJQBSA-N 1 0 319.424 2.927 20 70 DFIDRO CC[C@@H]([NH2+]C[C@@H](C)N1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000159827880 522846809 /nfs/dbraw/zinc/84/68/09/522846809.db2.gz LKTJKOAEOJLARB-AYOQOUSVSA-N 1 0 302.462 2.838 20 70 DFIDRO COc1ccccc1C[C@H]([NH2+][C@H](CCO)CSC)C(C)C ZINC000160396576 524512376 /nfs/dbraw/zinc/51/23/76/524512376.db2.gz RRUKWRXPEDRFDM-CVEARBPZSA-N 1 0 311.491 2.966 20 70 DFIDRO CSCCN(C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160410928 525490076 /nfs/dbraw/zinc/49/00/76/525490076.db2.gz LETPQNJPWVUDDY-HOCLYGCPSA-N 1 0 321.490 2.654 20 70 DFIDRO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1(c2ccc(Cl)cc2)CC1 ZINC000160562443 527449290 /nfs/dbraw/zinc/44/92/90/527449290.db2.gz ZAHRVBJJXQGNPN-GASCZTMLSA-N 1 0 304.821 2.725 20 70 DFIDRO O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160463150 527675916 /nfs/dbraw/zinc/67/59/16/527675916.db2.gz AIUPQVNTZTUSLQ-IRXDYDNUSA-N 1 0 323.481 2.556 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCOc3ccc(F)cc31)CC2 ZINC000160362585 282118244 /nfs/dbraw/zinc/11/82/44/282118244.db2.gz UCWOSBFLZRBKCF-DZGCQCFKSA-N 1 0 316.380 2.544 20 70 DFIDRO Cc1nc(C)c(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)s1 ZINC000159582124 186128769 /nfs/dbraw/zinc/12/87/69/186128769.db2.gz ITPSWUMJBMNSNF-VLIAUNLRSA-N 1 0 308.472 2.969 20 70 DFIDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159582624 186128950 /nfs/dbraw/zinc/12/89/50/186128950.db2.gz WIGNMNOXPWUEAV-PWSUYJOCSA-N 1 0 317.451 2.775 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)NCCCc1ccc(C(C)C)cc1 ZINC000159609154 186130931 /nfs/dbraw/zinc/13/09/31/186130931.db2.gz TWZMUCJYUNMFIC-MRXNPFEDSA-N 1 0 308.491 2.939 20 70 DFIDRO CCC(CC)(C[NH2+]CC(=O)Nc1ccccc1C)C(=O)OC ZINC000159676347 186134512 /nfs/dbraw/zinc/13/45/12/186134512.db2.gz KFPZRWWSLWNQHI-UHFFFAOYSA-N 1 0 306.406 2.503 20 70 DFIDRO c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159682724 186135419 /nfs/dbraw/zinc/13/54/19/186135419.db2.gz RPADCYRHBCRQEH-QYZOEREBSA-N 1 0 323.440 2.979 20 70 DFIDRO CC[C@@H](NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1ccc(F)cc1F ZINC000159726758 186137895 /nfs/dbraw/zinc/13/78/95/186137895.db2.gz UHFXBIMMHDKNDJ-DRAUORQLSA-N 1 0 308.372 2.906 20 70 DFIDRO CC[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(OC)c(OC)c1 ZINC000159748789 186139154 /nfs/dbraw/zinc/13/91/54/186139154.db2.gz JPBAGVGQNAVORX-HNNXBMFYSA-N 1 0 303.406 2.721 20 70 DFIDRO FC(F)(F)c1nnc(N2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000160367268 282934455 /nfs/dbraw/zinc/93/44/55/282934455.db2.gz TXYTVHAJWBTXEQ-SECBINFHSA-N 1 0 306.357 2.525 20 70 DFIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)C(C)(C)c1ccccc1 ZINC000160527119 299275803 /nfs/dbraw/zinc/27/58/03/299275803.db2.gz RHDOMKXXAOVCSS-NSHDSACASA-N 1 0 302.340 2.621 20 70 DFIDRO Cc1nccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1Cl ZINC000159366436 398963188 /nfs/dbraw/zinc/96/31/88/398963188.db2.gz BHOYEPSPDVZRFJ-UHFFFAOYSA-N 1 0 323.828 2.743 20 70 DFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NCc1cc(F)cc(F)c1 ZINC000159723965 398966008 /nfs/dbraw/zinc/96/60/08/398966008.db2.gz ZHSNKGGHPFHTCU-BBRMVZONSA-N 1 0 308.372 2.846 20 70 DFIDRO CCCC[N@H+](C)CCNC(=O)Cc1csc(-c2ccoc2)n1 ZINC000159950953 398967793 /nfs/dbraw/zinc/96/77/93/398967793.db2.gz FHARIXIZACIODO-UHFFFAOYSA-N 1 0 321.446 2.794 20 70 DFIDRO CCC(CC)CNC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000160542937 398970598 /nfs/dbraw/zinc/97/05/98/398970598.db2.gz FYOAITAIWBFTDV-UHFFFAOYSA-N 1 0 306.454 2.591 20 70 DFIDRO Cc1nc2cc(NC(=O)N[C@H]3CC[N@H+](CC4CC4)C3)ccc2o1 ZINC000160639253 398971370 /nfs/dbraw/zinc/97/13/70/398971370.db2.gz PZXNRJRGCUTGIO-AWEZNQCLSA-N 1 0 314.389 2.742 20 70 DFIDRO CC[C@@H]([NH2+]CCSCC(=O)OC)c1ccc(F)cc1F ZINC000160892734 398972800 /nfs/dbraw/zinc/97/28/00/398972800.db2.gz TVMZCLFVLAJYCX-CYBMUJFWSA-N 1 0 303.374 2.912 20 70 DFIDRO C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160761730 398973429 /nfs/dbraw/zinc/97/34/29/398973429.db2.gz MVKFYZSQOREWMV-SFHVURJKSA-N 1 0 313.445 2.869 20 70 DFIDRO CO[C@H](CNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1cccc(Cl)c1 ZINC000161408784 197492615 /nfs/dbraw/zinc/49/26/15/197492615.db2.gz RXYDRUOTADHSGI-CQOGHXNDSA-N 1 0 322.836 2.517 20 70 DFIDRO CO[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000161408915 197492187 /nfs/dbraw/zinc/49/21/87/197492187.db2.gz UPDLQFYPQLXJKO-SNPRPXQTSA-N 1 0 310.825 2.661 20 70 DFIDRO CCCCOc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1OC ZINC000161270392 197480124 /nfs/dbraw/zinc/48/01/24/197480124.db2.gz LALMIFFDTODEIL-OAHLLOKOSA-N 1 0 320.433 2.698 20 70 DFIDRO C[NH+](C)Cc1cccc(CNC(=O)NC[C@@]2(C)CCCS2)c1 ZINC000160639056 197427254 /nfs/dbraw/zinc/42/72/54/197427254.db2.gz CGOORYUDMLQOEM-QGZVFWFLSA-N 1 0 321.490 2.833 20 70 DFIDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(N2CCOC2=O)c1 ZINC000160538443 197419605 /nfs/dbraw/zinc/41/96/05/197419605.db2.gz LYGSTCZPEYGTQJ-LXZKKBNFSA-N 1 0 318.417 2.845 20 70 DFIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000160242690 197394615 /nfs/dbraw/zinc/39/46/15/197394615.db2.gz GHZFQGIJLIWZBO-HUUCEWRRSA-N 1 0 304.459 2.903 20 70 DFIDRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000160073093 197383941 /nfs/dbraw/zinc/38/39/41/197383941.db2.gz JZZRBEYPTZZGAK-ZDUSSCGKSA-N 1 0 316.232 2.601 20 70 DFIDRO Cc1c2cc(Br)ccc2oc1C(=O)NCCC[NH3+] ZINC000160031804 197381162 /nfs/dbraw/zinc/38/11/62/197381162.db2.gz LFKIASPQYFGEOC-UHFFFAOYSA-N 1 0 311.179 2.582 20 70 DFIDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCc1ccc(F)cc1F ZINC000160004636 197379330 /nfs/dbraw/zinc/37/93/30/197379330.db2.gz GWCJIYOWJRNKPX-HNNXBMFYSA-N 1 0 310.388 2.840 20 70 DFIDRO C#CC[NH+]1CCC(C(=O)N(C)c2ccc(OC)c(Cl)c2)CC1 ZINC000159960399 197376901 /nfs/dbraw/zinc/37/69/01/197376901.db2.gz YJWHIYCEQFBTDO-UHFFFAOYSA-N 1 0 320.820 2.657 20 70 DFIDRO O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](CCn2ccnc2)CC1 ZINC000159814774 197366787 /nfs/dbraw/zinc/36/67/87/197366787.db2.gz DJYFQJUNJYCWFT-KRWDZBQOSA-N 1 0 319.836 2.982 20 70 DFIDRO CCS[C@@H]1CCCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000159764545 197362199 /nfs/dbraw/zinc/36/21/99/197362199.db2.gz DWPDSXJIPMUSQX-CVEARBPZSA-N 1 0 306.475 2.691 20 70 DFIDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000159509680 197359179 /nfs/dbraw/zinc/35/91/79/197359179.db2.gz AFSMCYCAQNUXGN-ZDUSSCGKSA-N 1 0 305.378 2.566 20 70 DFIDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3oc(C)nc3c2)C1 ZINC000159462759 197355135 /nfs/dbraw/zinc/35/51/35/197355135.db2.gz SUIZASKGWXVSEA-ZDUSSCGKSA-N 1 0 316.405 2.942 20 70 DFIDRO COC(=O)C1([N@H+](C)Cc2ccc(-n3ccnc3)cc2)CCCC1 ZINC000159452573 197355139 /nfs/dbraw/zinc/35/51/39/197355139.db2.gz KZBHMUCNPSWTKU-UHFFFAOYSA-N 1 0 313.401 2.790 20 70 DFIDRO C[NH+](C)C[C@H](NC(=O)NC[C@]1(C)CCCS1)c1ccccc1 ZINC000159442166 197353789 /nfs/dbraw/zinc/35/37/89/197353789.db2.gz PALQLQWVZPWOLY-RDJZCZTQSA-N 1 0 321.490 2.874 20 70 DFIDRO COc1cccc(C2(CNC(=O)[C@H]3CCC[NH2+]C3)CCCC2)c1 ZINC000159477207 197356757 /nfs/dbraw/zinc/35/67/57/197356757.db2.gz MFJMZBRICCNGMB-HNNXBMFYSA-N 1 0 316.445 2.623 20 70 DFIDRO CC[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000159681261 542719467 /nfs/dbraw/zinc/71/94/67/542719467.db2.gz ILFGDYHWTGSXKK-MRXNPFEDSA-N 1 0 318.396 2.716 20 70 DFIDRO COc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000160553991 542723610 /nfs/dbraw/zinc/72/36/10/542723610.db2.gz WVBYNEFAYAQWFY-RDJZCZTQSA-N 1 0 302.418 2.576 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000161239577 542727369 /nfs/dbraw/zinc/72/73/69/542727369.db2.gz RXDMRIUMEDVSJM-MNOVXSKESA-N 1 0 321.471 2.800 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000161239340 542727748 /nfs/dbraw/zinc/72/77/48/542727748.db2.gz RXDMRIUMEDVSJM-QWRGUYRKSA-N 1 0 321.471 2.800 20 70 DFIDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCCS(C)(=O)=O ZINC000161327283 542728375 /nfs/dbraw/zinc/72/83/75/542728375.db2.gz GHKKYILMNREFBZ-NSHDSACASA-N 1 0 305.390 2.782 20 70 DFIDRO CC(C)(C)c1ccccc1OCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161342428 542728778 /nfs/dbraw/zinc/72/87/78/542728778.db2.gz FMKYQOOZJYCTCI-UONOGXRCSA-N 1 0 304.434 2.749 20 70 DFIDRO C[N@H+](CCCCS(C)(=O)=O)Cc1ccccc1N1CCCC1 ZINC000161292601 542728785 /nfs/dbraw/zinc/72/87/85/542728785.db2.gz XNGBPOIRGSHJEJ-UHFFFAOYSA-N 1 0 324.490 2.543 20 70 DFIDRO CCCNC(=O)c1cccc(CNC2CC[NH+](CCC)CC2)c1 ZINC000160559619 542723889 /nfs/dbraw/zinc/72/38/89/542723889.db2.gz OFGWAJDTGCANHV-UHFFFAOYSA-N 1 0 317.477 2.790 20 70 DFIDRO O=C1CC[C@@H]2C[N@H+](Cc3cccc(Br)c3)CC[C@H]2N1 ZINC000160738938 542724296 /nfs/dbraw/zinc/72/42/96/542724296.db2.gz DEVWULGCYXNTGN-TZMCWYRMSA-N 1 0 323.234 2.550 20 70 DFIDRO CC(C)c1nn(C)c2sc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc12 ZINC000160783985 542724612 /nfs/dbraw/zinc/72/46/12/542724612.db2.gz JTQQSEVZLGJJDG-QWRGUYRKSA-N 1 0 320.462 2.758 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000161017357 542726246 /nfs/dbraw/zinc/72/62/46/542726246.db2.gz YVDZVGFRJRFLES-NEPJUHHUSA-N 1 0 317.216 2.758 20 70 DFIDRO Cc1cc(C(=O)CCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)s1 ZINC000160934705 542726350 /nfs/dbraw/zinc/72/63/50/542726350.db2.gz RKGPPGFVOWUGOY-CHWSQXEVSA-N 1 0 308.447 2.714 20 70 DFIDRO Cc1cc(C(=O)CCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)s1 ZINC000160934459 542726394 /nfs/dbraw/zinc/72/63/94/542726394.db2.gz RKGPPGFVOWUGOY-QWHCGFSZSA-N 1 0 308.447 2.714 20 70 DFIDRO CCO[C@@H]1C[C@@H](N(C)C(=O)CC2([NH3+])CCC2)C12CCCCC2 ZINC000161022845 542726398 /nfs/dbraw/zinc/72/63/98/542726398.db2.gz XZOXXCSGHCDVAK-HUUCEWRRSA-N 1 0 308.466 2.844 20 70 DFIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(O)c(F)c1 ZINC000160440094 145220621 /nfs/dbraw/zinc/22/06/21/145220621.db2.gz PYLHSIBSKKLRBB-AWEZNQCLSA-N 1 0 323.412 2.595 20 70 DFIDRO O[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000160453198 145220731 /nfs/dbraw/zinc/22/07/31/145220731.db2.gz KTMJLBKYHHAOQY-APWZRJJASA-N 1 0 320.452 2.931 20 70 DFIDRO C[C@@H]1CCC[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)C1 ZINC000160790074 287372484 /nfs/dbraw/zinc/37/24/84/287372484.db2.gz IEXBMLBRBCAYTL-HUUCEWRRSA-N 1 0 316.449 2.598 20 70 DFIDRO CC(C)[NH+]1CCC(Nc2ncnc3c2cnn3C(C)(C)C)CC1 ZINC000160359518 267538536 /nfs/dbraw/zinc/53/85/36/267538536.db2.gz YAWXSTLYZSDOQU-UHFFFAOYSA-N 1 0 316.453 2.866 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](OC2CCCC2)c2ccccc2)C1 ZINC000160626284 267539640 /nfs/dbraw/zinc/53/96/40/267539640.db2.gz LCHFANWAFOSBOT-NVXWUHKLSA-N 1 0 302.418 2.507 20 70 DFIDRO CCn1ccnc1C[NH2+]CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000217799788 268139627 /nfs/dbraw/zinc/13/96/27/268139627.db2.gz TWMYEHAORSZWTN-UHFFFAOYSA-N 1 0 322.453 2.782 20 70 DFIDRO C[C@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218178090 268139649 /nfs/dbraw/zinc/13/96/49/268139649.db2.gz UHUNFCVLXZSPMH-UONOGXRCSA-N 1 0 322.453 2.545 20 70 DFIDRO Cc1cc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)no1 ZINC000218104716 268139738 /nfs/dbraw/zinc/13/97/38/268139738.db2.gz ASKGVQHOIDPMQI-UHFFFAOYSA-N 1 0 309.410 2.909 20 70 DFIDRO C[C@@H]([NH2+]Cc1nccn1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249435 268139811 /nfs/dbraw/zinc/13/98/11/268139811.db2.gz CQANBHTVVFFUGW-KGLIPLIRSA-N 1 0 322.453 2.545 20 70 DFIDRO CCn1ccnc1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218238885 268139836 /nfs/dbraw/zinc/13/98/36/268139836.db2.gz DASJJROIQDTKSV-CQSZACIVSA-N 1 0 322.453 2.640 20 70 DFIDRO CCn1ccnc1C[NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000217802069 268139892 /nfs/dbraw/zinc/13/98/92/268139892.db2.gz MHBOMVZOEHXBIM-CQSZACIVSA-N 1 0 322.453 2.640 20 70 DFIDRO C[C@H]([NH2+]Cc1nccn1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249520 268139957 /nfs/dbraw/zinc/13/99/57/268139957.db2.gz CQANBHTVVFFUGW-KBPBESRZSA-N 1 0 322.453 2.545 20 70 DFIDRO CCc1ccc([C@@H](CNC(=O)C(C)(C)COC)[NH+](C)C)cc1 ZINC000160376606 425980353 /nfs/dbraw/zinc/98/03/53/425980353.db2.gz WJNKESPNYWYJQI-MRXNPFEDSA-N 1 0 306.450 2.641 20 70 DFIDRO CC1=C(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CCCO1 ZINC000160367795 425980413 /nfs/dbraw/zinc/98/04/13/425980413.db2.gz IYSGUDIQMQEIRI-MRXNPFEDSA-N 1 0 306.381 2.629 20 70 DFIDRO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000160455456 425982680 /nfs/dbraw/zinc/98/26/80/425982680.db2.gz NPDMRKAHMFOHHY-AWEZNQCLSA-N 1 0 318.465 2.921 20 70 DFIDRO Cc1ccc(NC(=O)NOCC(C)C)c(OCC[NH+](C)C)c1 ZINC000160462464 425982989 /nfs/dbraw/zinc/98/29/89/425982989.db2.gz AFEZLZQYZCYQNQ-UHFFFAOYSA-N 1 0 309.410 2.645 20 70 DFIDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cncs1 ZINC000160449616 425983079 /nfs/dbraw/zinc/98/30/79/425983079.db2.gz CMWBMIHQEKEQNA-CQSZACIVSA-N 1 0 317.458 2.826 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)Cc1ccc(OCC(C)C)cc1 ZINC000160461444 425983311 /nfs/dbraw/zinc/98/33/11/425983311.db2.gz FVPJPPUWSIIAKH-UHFFFAOYSA-N 1 0 306.450 2.898 20 70 DFIDRO COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000160510010 425985011 /nfs/dbraw/zinc/98/50/11/425985011.db2.gz MGHIWQKLJAAHDA-KYJSFNMBSA-N 1 0 307.434 2.914 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(C3SCCCS3)cc2)C1 ZINC000160544584 425986169 /nfs/dbraw/zinc/98/61/69/425986169.db2.gz ZFOOMBKLWGBMJE-CQSZACIVSA-N 1 0 322.499 2.989 20 70 DFIDRO CC1(C)Cc2occc2[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000160549630 425986563 /nfs/dbraw/zinc/98/65/63/425986563.db2.gz CDPJSGUHYVCZKJ-SNVBAGLBSA-N 1 0 304.312 2.561 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1c[nH]nc1-c1ccccc1Cl ZINC000160542780 425986675 /nfs/dbraw/zinc/98/66/75/425986675.db2.gz IQGQUKONNFWMLO-UHFFFAOYSA-N 1 0 320.824 2.977 20 70 DFIDRO CC[NH+](CC)[C@@H](C(=O)N[C@@H](CCO)C(C)C)c1ccccc1 ZINC000160560330 425987852 /nfs/dbraw/zinc/98/78/52/425987852.db2.gz WKEHQSULNOSIJS-DLBZAZTESA-N 1 0 306.450 2.593 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000160583512 425988328 /nfs/dbraw/zinc/98/83/28/425988328.db2.gz POLIZFGRSNLVTD-OAHLLOKOSA-N 1 0 302.418 2.832 20 70 DFIDRO Cc1cccc(C)c1CC[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000160609004 425989554 /nfs/dbraw/zinc/98/95/54/425989554.db2.gz RCBABKINYJQRJF-KRWDZBQOSA-N 1 0 300.377 2.801 20 70 DFIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](CC)[C@H]2CCOC2)c1 ZINC000160625454 425989718 /nfs/dbraw/zinc/98/97/18/425989718.db2.gz RWPYHTGUGSESIZ-DLBZAZTESA-N 1 0 304.434 2.731 20 70 DFIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](CC)C(C)C)nc(N)c21 ZINC000160649200 425991211 /nfs/dbraw/zinc/99/12/11/425991211.db2.gz BEVQSPARYLKQMZ-UHFFFAOYSA-N 1 0 320.393 2.520 20 70 DFIDRO Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1Br ZINC000160679911 425992676 /nfs/dbraw/zinc/99/26/76/425992676.db2.gz MNEMUBWHCLCDTC-BETUJISGSA-N 1 0 323.234 2.724 20 70 DFIDRO CC[N@H+](CC(=O)NCCc1csc(C(C)(C)C)n1)C1CC1 ZINC000160708811 425993209 /nfs/dbraw/zinc/99/32/09/425993209.db2.gz OQGPQNFYJYETGL-UHFFFAOYSA-N 1 0 309.479 2.584 20 70 DFIDRO COC[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)C(C)C ZINC000160753229 425994506 /nfs/dbraw/zinc/99/45/06/425994506.db2.gz WRPWOHSYQFZJBZ-SJORKVTESA-N 1 0 304.434 2.611 20 70 DFIDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(N(C)C)cc1F ZINC000160755361 425994516 /nfs/dbraw/zinc/99/45/16/425994516.db2.gz JVBPEDHGFYXBLV-ZIAGYGMSSA-N 1 0 321.440 2.742 20 70 DFIDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160750826 425994858 /nfs/dbraw/zinc/99/48/58/425994858.db2.gz IIJYDGHPNBNZJT-PBHICJAKSA-N 1 0 320.389 2.601 20 70 DFIDRO OCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161028408 426006008 /nfs/dbraw/zinc/00/60/08/426006008.db2.gz VTPJSSBZRURGAQ-CABCVRRESA-N 1 0 317.351 2.976 20 70 DFIDRO COC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000160770396 425995785 /nfs/dbraw/zinc/99/57/85/425995785.db2.gz VENZHROBBSBAEP-SNRMKQJTSA-N 1 0 302.462 2.912 20 70 DFIDRO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161012939 426006024 /nfs/dbraw/zinc/00/60/24/426006024.db2.gz PPRNDRHLDATUAB-JFIYKMOQSA-N 1 0 310.482 2.506 20 70 DFIDRO C[C@@]1(CNc2nccnc2C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000160793729 425996684 /nfs/dbraw/zinc/99/66/84/425996684.db2.gz XKAYHDGZOWTXEL-SFHVURJKSA-N 1 0 307.401 2.815 20 70 DFIDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160930154 426001167 /nfs/dbraw/zinc/00/11/67/426001167.db2.gz NWGYDUNJCDLYRP-YWTNHNAXSA-N 1 0 322.493 2.793 20 70 DFIDRO CCOCCN(CC)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160936801 426001205 /nfs/dbraw/zinc/00/12/05/426001205.db2.gz ADSMLYJJMVJOJU-MRXNPFEDSA-N 1 0 313.486 2.565 20 70 DFIDRO C[C@@H]1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160941507 426002800 /nfs/dbraw/zinc/00/28/00/426002800.db2.gz JHOAIIDWIDYQEJ-CVEARBPZSA-N 1 0 315.461 2.989 20 70 DFIDRO Cc1cc(N2CC[NH+](CCCCC#N)CC2)nc(C(C)C)n1 ZINC000160965741 426003112 /nfs/dbraw/zinc/00/31/12/426003112.db2.gz AOHNTNCHYHWKIK-UHFFFAOYSA-N 1 0 301.438 2.724 20 70 DFIDRO CC[C@@H](C)OCC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000160940640 426003151 /nfs/dbraw/zinc/00/31/51/426003151.db2.gz SQZPCCQKUQAWJR-CQSZACIVSA-N 1 0 310.413 2.531 20 70 DFIDRO C[C@H](CC(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F)C1CC[NH2+]CC1 ZINC000159383463 425958821 /nfs/dbraw/zinc/95/88/21/425958821.db2.gz DFVYBIGKPNWQAX-PVXIVEMSSA-N 1 0 322.399 2.963 20 70 DFIDRO CCC(CC)c1cc(C(=O)NC2CC[NH+](C3CC3)CC2)on1 ZINC000159367446 425959436 /nfs/dbraw/zinc/95/94/36/425959436.db2.gz DBNHVDYVKBCISX-UHFFFAOYSA-N 1 0 305.422 2.935 20 70 DFIDRO CC(C)CN(C(=O)c1cccc2nc[nH]c21)C1CC[NH+](C)CC1 ZINC000159522961 425961946 /nfs/dbraw/zinc/96/19/46/425961946.db2.gz OUTYHMBJNNOZNT-UHFFFAOYSA-N 1 0 314.433 2.755 20 70 DFIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C[C@H]1CCCOC1 ZINC000159556763 425963086 /nfs/dbraw/zinc/96/30/86/425963086.db2.gz RHEBKIPDHXEMKZ-MRXNPFEDSA-N 1 0 310.482 2.630 20 70 DFIDRO [NH3+]C1(CNC(=O)Cc2csc(-c3ccoc3)n2)CCCCC1 ZINC000159582461 425963172 /nfs/dbraw/zinc/96/31/72/425963172.db2.gz MGHJBMVOKLFUJY-UHFFFAOYSA-N 1 0 319.430 2.723 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000159555127 425963650 /nfs/dbraw/zinc/96/36/50/425963650.db2.gz NBRNIJDNGXRYTA-CYBMUJFWSA-N 1 0 323.412 2.633 20 70 DFIDRO CCOCCC[NH+]1CCC(C(=O)OC)(c2ccccc2)CC1 ZINC000159641578 425963889 /nfs/dbraw/zinc/96/38/89/425963889.db2.gz HQUGRZTZSWGFOZ-UHFFFAOYSA-N 1 0 305.418 2.620 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000159635585 425964108 /nfs/dbraw/zinc/96/41/08/425964108.db2.gz XLLRPHJFBSPMJU-OAHLLOKOSA-N 1 0 321.469 2.783 20 70 DFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000159624843 425964144 /nfs/dbraw/zinc/96/41/44/425964144.db2.gz VDLOMKIENIERQO-WDEREUQCSA-N 1 0 321.471 2.957 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)NCC[NH+]2CCC(C)CC2)n1 ZINC000159640124 425964249 /nfs/dbraw/zinc/96/42/49/425964249.db2.gz ZCCOHVPQHLYKCV-UHFFFAOYSA-N 1 0 321.469 2.783 20 70 DFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159625674 425964500 /nfs/dbraw/zinc/96/45/00/425964500.db2.gz ILRALFUPKLXNBY-KOLCDFICSA-N 1 0 318.314 2.930 20 70 DFIDRO C[C@@H]1SCCN(C(=O)C[NH2+]CC2CC2)[C@H]1c1ccccc1 ZINC000159681129 425965923 /nfs/dbraw/zinc/96/59/23/425965923.db2.gz DITKWHCSJZHCSC-SUMWQHHRSA-N 1 0 304.459 2.691 20 70 DFIDRO C[C@H](COc1ccccc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159801213 425967279 /nfs/dbraw/zinc/96/72/79/425967279.db2.gz HXUJHVIQHAWLBJ-OAHLLOKOSA-N 1 0 316.445 2.692 20 70 DFIDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159764485 425968160 /nfs/dbraw/zinc/96/81/60/425968160.db2.gz XHXOXOZQGSKMQR-DLBZAZTESA-N 1 0 324.509 2.897 20 70 DFIDRO Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000159845319 425968902 /nfs/dbraw/zinc/96/89/02/425968902.db2.gz NZECFTNNICQBDY-LIRRHRJNSA-N 1 0 312.461 2.919 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)Cc2ccc(C)cc2C)CC1 ZINC000159837613 425969511 /nfs/dbraw/zinc/96/95/11/425969511.db2.gz HRTZZGGHDMMWKC-KRWDZBQOSA-N 1 0 317.477 2.972 20 70 DFIDRO C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159842694 425969608 /nfs/dbraw/zinc/96/96/08/425969608.db2.gz XPIYDAGSOQADNT-MRXNPFEDSA-N 1 0 317.477 2.831 20 70 DFIDRO O=C(c1csc(-c2ccccc2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159933570 425970650 /nfs/dbraw/zinc/97/06/50/425970650.db2.gz KWMCDTJUUPEEHQ-OKILXGFUSA-N 1 0 313.426 2.777 20 70 DFIDRO O=C(Cc1cc(Cl)ccc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159990769 425971380 /nfs/dbraw/zinc/97/13/80/425971380.db2.gz YIWBXHWZOJULIM-BETUJISGSA-N 1 0 313.228 2.889 20 70 DFIDRO CC(C)[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)[NH+](C)C ZINC000159985969 425971605 /nfs/dbraw/zinc/97/16/05/425971605.db2.gz PSBJPSODEYEIMV-GOEBONIOSA-N 1 0 304.434 2.991 20 70 DFIDRO CCS[C@H]1CCC[C@H](NC(=O)N2CCC[N@H+](CC)CC2)C1 ZINC000159945693 425971683 /nfs/dbraw/zinc/97/16/83/425971683.db2.gz ZOAYUYVAGHJBHD-GJZGRUSLSA-N 1 0 313.511 2.788 20 70 DFIDRO CC(C)[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000160052118 425972904 /nfs/dbraw/zinc/97/29/04/425972904.db2.gz QSDSXOMFRWTPQU-HIFRSBDPSA-N 1 0 308.372 2.621 20 70 DFIDRO Cc1cc(C#N)ccc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000160004795 425973060 /nfs/dbraw/zinc/97/30/60/425973060.db2.gz UCHQKQGDZLTBPS-GOSISDBHSA-N 1 0 307.397 2.899 20 70 DFIDRO COc1cccc(Cl)c1CC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000160112436 425974442 /nfs/dbraw/zinc/97/44/42/425974442.db2.gz RVVRESAVOBWRNX-HNNXBMFYSA-N 1 0 324.852 2.690 20 70 DFIDRO C[NH+]=C(NCc1cccs1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000160074879 425974768 /nfs/dbraw/zinc/97/47/68/425974768.db2.gz LPNVLAHATQPYKI-DZGCQCFKSA-N 1 0 317.462 2.603 20 70 DFIDRO CSC[C@@H](CCO)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000160173935 425976407 /nfs/dbraw/zinc/97/64/07/425976407.db2.gz AYQIGPAGVHNBNL-CABCVRRESA-N 1 0 324.446 2.620 20 70 DFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(COc2ccccc2)cc1 ZINC000160226557 425977136 /nfs/dbraw/zinc/97/71/36/425977136.db2.gz NUSJZRBILKXFIV-KRWDZBQOSA-N 1 0 310.397 2.829 20 70 DFIDRO Cc1ccccc1CS(=O)(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160284630 425977856 /nfs/dbraw/zinc/97/78/56/425977856.db2.gz IRUJCECCLWKSLA-QGZVFWFLSA-N 1 0 324.490 2.535 20 70 DFIDRO CC1(C)CCCC[C@H]1CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000160249090 425977947 /nfs/dbraw/zinc/97/79/47/425977947.db2.gz DGHYLXQEJCTVCK-INIZCTEOSA-N 1 0 322.493 2.916 20 70 DFIDRO Cc1nc(CC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c(C)s1 ZINC000160349000 425979128 /nfs/dbraw/zinc/97/91/28/425979128.db2.gz LCXSSVDNLDBZFH-SJCJKPOMSA-N 1 0 323.506 2.929 20 70 DFIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CC[C@@H](C)[C@H]3C)c2c1 ZINC000161408666 426023270 /nfs/dbraw/zinc/02/32/70/426023270.db2.gz RRRSKMKVNNFRIJ-VXGBXAGGSA-N 1 0 314.385 2.868 20 70 DFIDRO C[C@H]1CC[C@H](C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)O1 ZINC000161452096 426024659 /nfs/dbraw/zinc/02/46/59/426024659.db2.gz JXPMBWMQGWIOQO-ZGRYLRDCSA-N 1 0 308.466 2.713 20 70 DFIDRO CCn1c(C)nnc1CNC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000161450205 426024697 /nfs/dbraw/zinc/02/46/97/426024697.db2.gz PDPYBVVYZZWRKG-UHFFFAOYSA-N 1 0 315.465 2.607 20 70 DFIDRO CCN(CC)C(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161473012 426025128 /nfs/dbraw/zinc/02/51/28/426025128.db2.gz JZIHPKVCQCSANO-SFHVURJKSA-N 1 0 320.433 2.613 20 70 DFIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000161500137 426026394 /nfs/dbraw/zinc/02/63/94/426026394.db2.gz FOQXXBFZTWGMJZ-SWLSCSKDSA-N 1 0 310.463 2.824 20 70 DFIDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)C[C@@H]1C ZINC000161489317 426026484 /nfs/dbraw/zinc/02/64/84/426026484.db2.gz XGCDFZFMNIQFQZ-JONQDZQNSA-N 1 0 322.449 2.840 20 70 DFIDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000161500646 426026573 /nfs/dbraw/zinc/02/65/73/426026573.db2.gz AJPWBHYPWXYYAA-YOEHRIQHSA-N 1 0 313.397 2.885 20 70 DFIDRO C[C@@H]1CN(Cc2ccc(Br)c(F)c2)C[C@@H](C)[NH2+]1 ZINC000161496748 426026689 /nfs/dbraw/zinc/02/66/89/426026689.db2.gz WRNILCWPUQMCCX-NXEZZACHSA-N 1 0 301.203 2.770 20 70 DFIDRO CS[C@@H](C)CC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000161046767 426006630 /nfs/dbraw/zinc/00/66/30/426006630.db2.gz GXOHFIWZFMHGCM-AWEZNQCLSA-N 1 0 321.490 2.514 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 ZINC000161042198 426006726 /nfs/dbraw/zinc/00/67/26/426006726.db2.gz RCRKVSNUBBXPTN-UHFFFAOYSA-N 1 0 300.446 2.956 20 70 DFIDRO COCC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000161040813 426006798 /nfs/dbraw/zinc/00/67/98/426006798.db2.gz FDMAAPILNUUZQA-OAHLLOKOSA-N 1 0 304.434 2.614 20 70 DFIDRO COc1ccc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)cc1F ZINC000161044424 426006816 /nfs/dbraw/zinc/00/68/16/426006816.db2.gz UBYIAWJBVGGCKU-ZDUSSCGKSA-N 1 0 319.380 2.980 20 70 DFIDRO COC(C[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1)OC ZINC000161039663 426006839 /nfs/dbraw/zinc/00/68/39/426006839.db2.gz DUPZZRPLTJPPMM-UHFFFAOYSA-N 1 0 321.396 2.699 20 70 DFIDRO CCCCn1ncc(C(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000161074375 426008367 /nfs/dbraw/zinc/00/83/67/426008367.db2.gz IJADJHQWHRFZQK-UHFFFAOYSA-N 1 0 306.454 2.594 20 70 DFIDRO C[C@H](CC(=O)NC[C@H](C)Oc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000161125786 426009586 /nfs/dbraw/zinc/00/95/86/426009586.db2.gz DWVZZKYCEILFOQ-KGLIPLIRSA-N 1 0 322.424 2.735 20 70 DFIDRO CCOc1cc(C[NH2+]C(C)(C)[C@@H](C)O)ccc1OC(F)F ZINC000161141559 426010295 /nfs/dbraw/zinc/01/02/95/426010295.db2.gz KJQKIMLZYBSMRI-SNVBAGLBSA-N 1 0 303.349 2.936 20 70 DFIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](COC)C2CC2)c1 ZINC000161150859 426011264 /nfs/dbraw/zinc/01/12/64/426011264.db2.gz VUJWQHUZPYBVGX-SUMWQHHRSA-N 1 0 304.434 2.730 20 70 DFIDRO CCN1CCCC[C@H]1C[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000161169879 426011480 /nfs/dbraw/zinc/01/14/80/426011480.db2.gz BXCJSAXXHHJJFX-INIZCTEOSA-N 1 0 322.522 2.884 20 70 DFIDRO COc1ccc(C(F)(F)C(=O)N(CC[NH+](C)C)C(C)C)cc1 ZINC000161186229 426012479 /nfs/dbraw/zinc/01/24/79/426012479.db2.gz NAJWYIHXBVJRTE-UHFFFAOYSA-N 1 0 314.376 2.586 20 70 DFIDRO CC(C)c1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cn1 ZINC000161186281 426012716 /nfs/dbraw/zinc/01/27/16/426012716.db2.gz JVFDPMAKBAGBGG-UHFFFAOYSA-N 1 0 301.434 2.905 20 70 DFIDRO CC1CCC(N(C[C@H]2CCCO2)C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000161225012 426014087 /nfs/dbraw/zinc/01/40/87/426014087.db2.gz TWOLZQCAZGCHHH-ODZFXCKXSA-N 1 0 308.466 2.715 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000161241477 426015252 /nfs/dbraw/zinc/01/52/52/426015252.db2.gz AJROJDOYXHXOPA-CZUORRHYSA-N 1 0 322.424 2.879 20 70 DFIDRO CCOCc1ccccc1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161254183 426015351 /nfs/dbraw/zinc/01/53/51/426015351.db2.gz MVPBSHONDCTMNB-UHFFFAOYSA-N 1 0 304.434 2.760 20 70 DFIDRO CC1(C)CC(NC(=O)c2noc3c2CCCCC3)CC(C)(C)[NH2+]1 ZINC000161288240 426017387 /nfs/dbraw/zinc/01/73/87/426017387.db2.gz OMXHFYOIOWEAEZ-UHFFFAOYSA-N 1 0 319.449 2.983 20 70 DFIDRO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1cnc2ccccn12)c1ccccc1 ZINC000161288974 426017591 /nfs/dbraw/zinc/01/75/91/426017591.db2.gz JUPHAEAJQPLRDR-RDTXWAMCSA-N 1 0 323.396 2.974 20 70 DFIDRO CN1CCc2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc21 ZINC000161289333 426017829 /nfs/dbraw/zinc/01/78/29/426017829.db2.gz NOBJVZGNZAGDDE-UHFFFAOYSA-N 1 0 315.461 2.718 20 70 DFIDRO C[C@@]1(C(=O)NCCSc2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000161312176 426019193 /nfs/dbraw/zinc/01/91/93/426019193.db2.gz VCIZIYVBYPTRQL-OAHLLOKOSA-N 1 0 312.866 2.938 20 70 DFIDRO CN(C)[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)c1ccc(F)cc1 ZINC000161320817 426019198 /nfs/dbraw/zinc/01/91/98/426019198.db2.gz UMMKQHALIMQOKH-KRWDZBQOSA-N 1 0 322.424 2.704 20 70 DFIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000161335112 426019694 /nfs/dbraw/zinc/01/96/94/426019694.db2.gz KJGLSAISLITAJL-PJODQICGSA-N 1 0 320.383 2.669 20 70 DFIDRO CCC[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH+](C)C ZINC000161364301 426021133 /nfs/dbraw/zinc/02/11/33/426021133.db2.gz IEXGHXJXMFNRBO-OAHLLOKOSA-N 1 0 303.406 2.704 20 70 DFIDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(F)c(Br)c1 ZINC000161355388 426021447 /nfs/dbraw/zinc/02/14/47/426021447.db2.gz XKXAUWPOZYHXNO-JGVFFNPUSA-N 1 0 303.175 2.503 20 70 DFIDRO CCCN(C)c1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000161398405 426021649 /nfs/dbraw/zinc/02/16/49/426021649.db2.gz BBKHJHZCLQHHFA-YJBOKZPZSA-N 1 0 317.477 2.991 20 70 DFIDRO C[C@]1(C(=O)Nc2ccc(-c3csnn3)cc2)CCC[NH2+]C1 ZINC000161380283 426022077 /nfs/dbraw/zinc/02/20/77/426022077.db2.gz KRWYVMRBSDLBNO-HNNXBMFYSA-N 1 0 302.403 2.533 20 70 DFIDRO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccnc(Cl)c3)C2)n1 ZINC000216934033 426562127 /nfs/dbraw/zinc/56/21/27/426562127.db2.gz UDQJMXADSXCHBK-OAHLLOKOSA-N 1 0 319.840 2.856 20 70 DFIDRO CCN(c1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1)C(C)C ZINC000160108972 276145075 /nfs/dbraw/zinc/14/50/75/276145075.db2.gz JHFWLPXYUXXATD-SFHVURJKSA-N 1 0 317.477 2.991 20 70 DFIDRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)[C@H](O)c1ccc(F)cc1 ZINC000161496256 277614895 /nfs/dbraw/zinc/61/48/95/277614895.db2.gz CVSWEDOBVAKBHH-WBMJQRKESA-N 1 0 309.381 2.523 20 70 DFIDRO C[C@H](C[NH2+][C@H](C)C1CCOCC1)N1CCc2sccc2C1 ZINC000159884725 279351435 /nfs/dbraw/zinc/35/14/35/279351435.db2.gz DGOCCKNJQKFUQB-ZIAGYGMSSA-N 1 0 308.491 2.899 20 70 DFIDRO c1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c2c(c1)OCCCO2 ZINC000159586685 280468486 /nfs/dbraw/zinc/46/84/86/280468486.db2.gz HMNOHFVWYSRRKZ-OLMNPRSZSA-N 1 0 315.413 2.895 20 70 DFIDRO Cc1ccc(C[C@H](C)NC(=O)NC[C@H]2CCC[N@H+](C)C2)s1 ZINC000159451619 295377099 /nfs/dbraw/zinc/37/70/99/295377099.db2.gz DUMRDKYZPNKQMZ-GXTWGEPZSA-N 1 0 309.479 2.629 20 70 DFIDRO CC[C@H](CCO)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159465287 295377254 /nfs/dbraw/zinc/37/72/54/295377254.db2.gz TXOKIPBEEHUSRB-QGZVFWFLSA-N 1 0 318.461 2.566 20 70 DFIDRO CC[C@@H](CCO)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159465152 295377312 /nfs/dbraw/zinc/37/73/12/295377312.db2.gz TXOKIPBEEHUSRB-KRWDZBQOSA-N 1 0 318.461 2.566 20 70 DFIDRO C[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C[C@H]1CCC[C@@H]1O ZINC000159542639 295378331 /nfs/dbraw/zinc/37/83/31/295378331.db2.gz NPIALTJQIVLSHG-OLZOCXBDSA-N 1 0 318.339 2.616 20 70 DFIDRO CC(C)COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000159646790 295379378 /nfs/dbraw/zinc/37/93/78/295379378.db2.gz OLIRNXXBXZNAGB-YOEHRIQHSA-N 1 0 304.434 2.993 20 70 DFIDRO CCc1cccc(NC(=O)C[NH2+]CC(CC)(CC)C(=O)OC)c1 ZINC000159662151 295379834 /nfs/dbraw/zinc/37/98/34/295379834.db2.gz BDPDHARFBWDIFJ-UHFFFAOYSA-N 1 0 320.433 2.757 20 70 DFIDRO C[C@H]1CC(NC(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000159655975 295379864 /nfs/dbraw/zinc/37/98/64/295379864.db2.gz GUHQVCPLILDTRG-KBPBESRZSA-N 1 0 323.481 2.649 20 70 DFIDRO CC(C)(C)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159830656 295382542 /nfs/dbraw/zinc/38/25/42/295382542.db2.gz QWDWLSJHGWZQHS-CQSZACIVSA-N 1 0 321.421 2.905 20 70 DFIDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCc2c1cccc2OC ZINC000160032194 295385554 /nfs/dbraw/zinc/38/55/54/295385554.db2.gz ACDUSWDEKGUPCZ-HZPDHXFCSA-N 1 0 302.418 2.673 20 70 DFIDRO COC(C)(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000160070969 295385948 /nfs/dbraw/zinc/38/59/48/295385948.db2.gz SCVNJHMYTUFWJM-CHWSQXEVSA-N 1 0 300.443 2.837 20 70 DFIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccc(C)c(OC)c2)CC1 ZINC000160067556 295385949 /nfs/dbraw/zinc/38/59/49/295385949.db2.gz QWGSYERNNPCQQS-INIZCTEOSA-N 1 0 316.445 2.636 20 70 DFIDRO OCC1(C[NH2+]Cc2csc(-c3ccccn3)n2)CCCC1 ZINC000160100585 295386659 /nfs/dbraw/zinc/38/66/59/295386659.db2.gz XTBDHXZKCDHNII-UHFFFAOYSA-N 1 0 303.431 2.847 20 70 DFIDRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160446333 295391164 /nfs/dbraw/zinc/39/11/64/295391164.db2.gz YKQCAOAAZUWBFT-ZENOOKHLSA-N 1 0 308.397 2.684 20 70 DFIDRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160632162 295394029 /nfs/dbraw/zinc/39/40/29/295394029.db2.gz LQHKHMRRIGVDKE-LZWOXQAQSA-N 1 0 320.433 2.553 20 70 DFIDRO CC1CC[NH+](CC(=O)NCCc2csc(C(C)(C)C)n2)CC1 ZINC000160686599 295394614 /nfs/dbraw/zinc/39/46/14/295394614.db2.gz VYMVJGUXBYQHPC-UHFFFAOYSA-N 1 0 323.506 2.831 20 70 DFIDRO Cc1cccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000160679763 295394667 /nfs/dbraw/zinc/39/46/67/295394667.db2.gz FVNCGRAAKNFFBO-UHFFFAOYSA-N 1 0 318.465 2.653 20 70 DFIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000160888124 295396196 /nfs/dbraw/zinc/39/61/96/295396196.db2.gz WJNOBFQPGCGHRL-WMLDXEAASA-N 1 0 316.449 2.878 20 70 DFIDRO Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000160908882 295396479 /nfs/dbraw/zinc/39/64/79/295396479.db2.gz JQCFGIODSKDHAC-DFBGVHRSSA-N 1 0 322.453 2.567 20 70 DFIDRO CC[NH+](CC)[C@@H](C(=O)N[C@@H](CO)CC(C)C)c1ccccc1 ZINC000161040740 295398008 /nfs/dbraw/zinc/39/80/08/295398008.db2.gz NUWNUNDUPGAQEY-IAGOWNOFSA-N 1 0 306.450 2.593 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1cccc(Br)c1 ZINC000161154474 295399348 /nfs/dbraw/zinc/39/93/48/295399348.db2.gz PKAUSYHTDDPQTB-NPQIQWPPSA-N 1 0 323.234 2.673 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(N(C)C(=O)OC)cc1 ZINC000161190590 295399856 /nfs/dbraw/zinc/39/98/56/295399856.db2.gz LKLGZMYLKFCOBN-UHFFFAOYSA-N 1 0 307.394 2.593 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N[C@H](C[NH3+])CC(C)C)c1 ZINC000161249828 295400589 /nfs/dbraw/zinc/40/05/89/295400589.db2.gz GHIGDYHUXMPNED-NSHDSACASA-N 1 0 313.239 2.861 20 70 DFIDRO COCC[NH+]1CCC(NC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000161346132 295402030 /nfs/dbraw/zinc/40/20/30/295402030.db2.gz XQZVYGNQQCPERR-OAHLLOKOSA-N 1 0 310.482 2.820 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCOc3ccc(F)cc31)CC2 ZINC000160362859 302682046 /nfs/dbraw/zinc/68/20/46/302682046.db2.gz UCWOSBFLZRBKCF-ZFWWWQNUSA-N 1 0 316.380 2.544 20 70 DFIDRO CCC(O)(CC)CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160701118 332888297 /nfs/dbraw/zinc/88/82/97/332888297.db2.gz AKVZJONXHSLRHY-UHFFFAOYSA-N 1 0 319.327 2.863 20 70 DFIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC000160322456 518560146 /nfs/dbraw/zinc/56/01/46/518560146.db2.gz YWAWSGKDUUORQI-IAGOWNOFSA-N 1 0 322.493 2.772 20 70 DFIDRO COCC[C@H](C)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161129302 521921029 /nfs/dbraw/zinc/92/10/29/521921029.db2.gz PGOGMCRKRQDHAH-KBPBESRZSA-N 1 0 312.404 2.944 20 70 DFIDRO CN(Cc1ccc(Br)cc1F)[C@H](C[NH3+])C1CC1 ZINC000159744867 523200848 /nfs/dbraw/zinc/20/08/48/523200848.db2.gz DDVCEBCHAUCITP-CYBMUJFWSA-N 1 0 301.203 2.757 20 70 DFIDRO COc1ccc(N2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000160393387 524422715 /nfs/dbraw/zinc/42/27/15/524422715.db2.gz WEASILBLSFJAKA-UHFFFAOYSA-N 1 0 317.477 2.693 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCSc3ccccc31)CC2 ZINC000160378236 527195866 /nfs/dbraw/zinc/19/58/66/527195866.db2.gz ZZXBIIDWDDWVSZ-GXTWGEPZSA-N 1 0 300.431 2.728 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccc(C)cc1)C1CC1)CC2 ZINC000160584664 282117936 /nfs/dbraw/zinc/11/79/36/282117936.db2.gz MXSPWGDHCKSLLK-ROUUACIJSA-N 1 0 310.445 2.821 20 70 DFIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cnc2ccsc2c1 ZINC000159554084 186126885 /nfs/dbraw/zinc/12/68/85/186126885.db2.gz OJSPUIQMSYRYFB-LBPRGKRZSA-N 1 0 303.431 2.959 20 70 DFIDRO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CSCCS1)CC2 ZINC000159567921 186127940 /nfs/dbraw/zinc/12/79/40/186127940.db2.gz BUDXSSMWJOHUJL-HOCLYGCPSA-N 1 0 309.500 2.991 20 70 DFIDRO COc1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1Cl ZINC000159587750 186129166 /nfs/dbraw/zinc/12/91/66/186129166.db2.gz IIAWZCCGKRZIFE-OAHLLOKOSA-N 1 0 324.852 2.503 20 70 DFIDRO CCc1nc([C@@H](C)NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cs1 ZINC000159671622 398966565 /nfs/dbraw/zinc/96/65/65/398966565.db2.gz PBEHXHQUTNLDOP-TZMCWYRMSA-N 1 0 324.494 2.748 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)NCCc1ccc(OC(C)C)cc1 ZINC000161175074 398975529 /nfs/dbraw/zinc/97/55/29/398975529.db2.gz HVERUJQSLSIIMK-UHFFFAOYSA-N 1 0 306.450 2.898 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000161245422 398975559 /nfs/dbraw/zinc/97/55/59/398975559.db2.gz QIMSKTLEUURSHW-LLVKDONJSA-N 1 0 311.223 2.568 20 70 DFIDRO CC(C)[NH2+]CCC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000161450455 398977212 /nfs/dbraw/zinc/97/72/12/398977212.db2.gz HSAHRBNCBKCMTC-OAHLLOKOSA-N 1 0 320.408 2.635 20 70 DFIDRO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)C1CCOCC1 ZINC000160791013 296153204 /nfs/dbraw/zinc/15/32/04/296153204.db2.gz DEMIYKBOYSLAOD-QAPCUYQASA-N 1 0 316.445 2.755 20 70 DFIDRO CS[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000161505692 197499777 /nfs/dbraw/zinc/49/97/77/197499777.db2.gz JZFQLMKSHHYLTN-ZDUSSCGKSA-N 1 0 312.454 2.858 20 70 DFIDRO C[C@H](Oc1ccccc1Cl)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161345918 197487745 /nfs/dbraw/zinc/48/77/45/197487745.db2.gz NFPYYQLXDLYWNQ-ICIURTGMSA-N 1 0 322.836 2.849 20 70 DFIDRO CCCOc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cn1 ZINC000161306565 197483771 /nfs/dbraw/zinc/48/37/71/197483771.db2.gz NEGOOVCVDQINNA-UHFFFAOYSA-N 1 0 306.406 2.646 20 70 DFIDRO CCc1ccc(/C=C/C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)o1 ZINC000161266026 197479872 /nfs/dbraw/zinc/47/98/72/197479872.db2.gz YEHOHCQSWVKLDF-KPBXEYHCSA-N 1 0 302.418 2.798 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000161250586 197478427 /nfs/dbraw/zinc/47/84/27/197478427.db2.gz PAVMKAKBDAFOFF-GXTWGEPZSA-N 1 0 310.463 2.802 20 70 DFIDRO Cc1cc(NC(=O)[C@H]2CCC[NH2+]C2)ccc1OCC(F)(F)F ZINC000161118755 197467138 /nfs/dbraw/zinc/46/71/38/197467138.db2.gz KMQRTVLUSDKZMW-NSHDSACASA-N 1 0 316.323 2.874 20 70 DFIDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1coc(-c2ccccc2)n1 ZINC000160269144 197396730 /nfs/dbraw/zinc/39/67/30/197396730.db2.gz IFWQASKZBDOENS-UKRRQHHQSA-N 1 0 311.385 2.650 20 70 DFIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000160219638 197393275 /nfs/dbraw/zinc/39/32/75/197393275.db2.gz MVXXHLLHLGCHNJ-NWDGAFQWSA-N 1 0 308.403 2.600 20 70 DFIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000160191906 197392049 /nfs/dbraw/zinc/39/20/49/197392049.db2.gz APISEIQNBQXSIP-LBPRGKRZSA-N 1 0 305.378 2.513 20 70 DFIDRO Cc1nnc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000160241550 197394556 /nfs/dbraw/zinc/39/45/56/197394556.db2.gz ZMDLMBYZTOKYGA-UGSOOPFHSA-N 1 0 321.428 2.898 20 70 DFIDRO CC(C)c1c(C(=O)NCCC[NH3+])cnn1-c1ccc(Cl)cc1 ZINC000160054674 197382609 /nfs/dbraw/zinc/38/26/09/197382609.db2.gz MRDSHZHSIIXTAX-UHFFFAOYSA-N 1 0 320.824 2.728 20 70 DFIDRO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000160105012 197386411 /nfs/dbraw/zinc/38/64/11/197386411.db2.gz RMVHLOIHLQIWOW-LLVKDONJSA-N 1 0 305.809 2.811 20 70 DFIDRO CCC1(CC)[C@@H]([NH2+][C@H](C(N)=O)c2ccc(F)cc2)C[C@@H]1OC ZINC000160107924 197386557 /nfs/dbraw/zinc/38/65/57/197386557.db2.gz INCZZDQYOSLYDS-KKUMJFAQSA-N 1 0 308.397 2.535 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000160106117 197385956 /nfs/dbraw/zinc/38/59/56/197385956.db2.gz TVYIGLHCPNVOFC-RDJZCZTQSA-N 1 0 306.475 2.647 20 70 DFIDRO COc1ccc(Br)c(CN(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000160074820 197383850 /nfs/dbraw/zinc/38/38/50/197383850.db2.gz KMKDNYRDOCJICD-AWEZNQCLSA-N 1 0 313.239 2.627 20 70 DFIDRO CCn1cnnc1C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000160017037 197380234 /nfs/dbraw/zinc/38/02/34/197380234.db2.gz UNFGBSLBBWRZTM-UHFFFAOYSA-N 1 0 312.392 2.668 20 70 DFIDRO C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cnccn1 ZINC000159990858 197378512 /nfs/dbraw/zinc/37/85/12/197378512.db2.gz BUHQIBLWDPLARP-LBPRGKRZSA-N 1 0 316.371 2.792 20 70 DFIDRO Cc1ccc(-c2nc(CC(=O)NCC(C)(C)[NH3+])cs2)cc1 ZINC000159956058 197376108 /nfs/dbraw/zinc/37/61/08/197376108.db2.gz MNIPDOMPXFVVQM-UHFFFAOYSA-N 1 0 303.431 2.515 20 70 DFIDRO CC(C)([NH3+])CNC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000159948457 197375952 /nfs/dbraw/zinc/37/59/52/197375952.db2.gz WJFJYXTZTUCJCJ-UHFFFAOYSA-N 1 0 321.808 2.781 20 70 DFIDRO C[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000159885497 197371075 /nfs/dbraw/zinc/37/10/75/197371075.db2.gz QZLDQKCBPAFYFH-GOSISDBHSA-N 1 0 324.403 2.568 20 70 DFIDRO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3CO)co2)cc1 ZINC000159853339 197369256 /nfs/dbraw/zinc/36/92/56/197369256.db2.gz PWIXEKZRZOYHAF-HNNXBMFYSA-N 1 0 302.374 2.697 20 70 DFIDRO C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)C1CC[NH2+]CC1 ZINC000159836187 197368600 /nfs/dbraw/zinc/36/86/00/197368600.db2.gz NKMMDEXVWQCJJK-BLLLJJGKSA-N 1 0 322.836 2.628 20 70 DFIDRO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)[N@H+](C)Cc1ccccc1 ZINC000159820773 197367709 /nfs/dbraw/zinc/36/77/09/197367709.db2.gz RNJJNFBSVBBACN-AWEZNQCLSA-N 1 0 310.401 2.527 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(F)c(Cl)c2)CC1 ZINC000159796579 197365884 /nfs/dbraw/zinc/36/58/84/197365884.db2.gz NZZNMJVGMLQMMW-UHFFFAOYSA-N 1 0 313.804 2.716 20 70 DFIDRO CSc1ccc(O[C@H](C)C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159502194 197358585 /nfs/dbraw/zinc/35/85/85/197358585.db2.gz CKZSQLKQMWIVDN-CYBMUJFWSA-N 1 0 322.474 2.954 20 70 DFIDRO CCOc1ccc(CCC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159527103 197360973 /nfs/dbraw/zinc/36/09/73/197360973.db2.gz XRCZVFHYXUQCAN-UHFFFAOYSA-N 1 0 304.434 2.796 20 70 DFIDRO CC(C)[C@@H]([NH3+])C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000159510467 197359294 /nfs/dbraw/zinc/35/92/94/197359294.db2.gz XLJOBUBTQYJWEO-HZPDHXFCSA-N 1 0 324.852 2.595 20 70 DFIDRO CC(=O)c1cnc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)s1 ZINC000159507369 197358866 /nfs/dbraw/zinc/35/88/66/197358866.db2.gz KUSZRFQVAOLQRF-NOZJJQNGSA-N 1 0 303.387 2.620 20 70 DFIDRO O=C(Nc1ccc(F)nc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000159478555 197356589 /nfs/dbraw/zinc/35/65/89/197356589.db2.gz FQZCUUOXEUGEHR-DOMZBBRYSA-N 1 0 318.396 2.701 20 70 DFIDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000159456753 197355539 /nfs/dbraw/zinc/35/55/39/197355539.db2.gz ADIWSSFZJNTTQF-GHMZBOCLSA-N 1 0 303.431 2.951 20 70 DFIDRO CC[N@H+](CCc1nccs1)Cc1cccc2c1OCCO2 ZINC000159430373 197353739 /nfs/dbraw/zinc/35/37/39/197353739.db2.gz QBYRNKKNGCXGQW-UHFFFAOYSA-N 1 0 304.415 2.979 20 70 DFIDRO COCCN(C)CC[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000159402765 284959589 /nfs/dbraw/zinc/95/95/89/284959589.db2.gz JSTXXCPPVOTDJL-KRWDZBQOSA-N 1 0 306.450 2.685 20 70 DFIDRO c1ccc(N2CC[C@@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000161278656 285483864 /nfs/dbraw/zinc/48/38/64/285483864.db2.gz GQVIMOWDXAHIMB-INIZCTEOSA-N 1 0 316.445 2.788 20 70 DFIDRO CCCCn1ncc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1C ZINC000159876030 542719888 /nfs/dbraw/zinc/71/98/88/542719888.db2.gz AGRBSMSWUTZMIQ-OAHLLOKOSA-N 1 0 319.453 2.597 20 70 DFIDRO CCn1nccc1C[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000159900244 542720197 /nfs/dbraw/zinc/72/01/97/542720197.db2.gz JSHLKKBQSZXAFL-UHFFFAOYSA-N 1 0 309.417 2.995 20 70 DFIDRO C[NH+](C)CC1CCC(NC(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000160040311 542720778 /nfs/dbraw/zinc/72/07/78/542720778.db2.gz OYCZFTSIXHQNEW-UHFFFAOYSA-N 1 0 317.437 2.596 20 70 DFIDRO O[C@H](C[NH2+]Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000160326357 542722269 /nfs/dbraw/zinc/72/22/69/542722269.db2.gz KMXRGACRQJRKKJ-CQSZACIVSA-N 1 0 321.218 2.858 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000160446083 542722767 /nfs/dbraw/zinc/72/27/67/542722767.db2.gz RFFCZFNVXBSXNY-CVEARBPZSA-N 1 0 304.434 2.788 20 70 DFIDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(N2CCOC2=O)cc1 ZINC000160483229 542723201 /nfs/dbraw/zinc/72/32/01/542723201.db2.gz MFVJKOHSZUEROY-QRTARXTBSA-N 1 0 318.417 2.845 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000161253223 542727465 /nfs/dbraw/zinc/72/74/65/542727465.db2.gz OCQTVMBXYIBIOM-MFKMUULPSA-N 1 0 311.223 2.615 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000161337407 542728770 /nfs/dbraw/zinc/72/87/70/542728770.db2.gz BOZRKKNNSNIENZ-NWDGAFQWSA-N 1 0 300.324 2.634 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(Oc2nccs2)c1 ZINC000161322330 542728812 /nfs/dbraw/zinc/72/88/12/542728812.db2.gz DLYWWTYYGPJNCW-ZDUSSCGKSA-N 1 0 317.414 2.759 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2sccc2Br)C1 ZINC000161312961 542728944 /nfs/dbraw/zinc/72/89/44/542728944.db2.gz XRWJHDAVIPCPFF-JGVFFNPUSA-N 1 0 303.225 2.510 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCCOc2ccc(Cl)cc2)C1 ZINC000161302584 542728967 /nfs/dbraw/zinc/72/89/67/542728967.db2.gz TVWNKIBKPZGDCW-KBPBESRZSA-N 1 0 310.825 2.885 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(F)ccc2Br)C1 ZINC000161349487 542728970 /nfs/dbraw/zinc/72/89/70/542728970.db2.gz SSTUHTCEDHPPSM-UWVGGRQHSA-N 1 0 315.186 2.588 20 70 DFIDRO Cc1oc(-c2cccs2)nc1CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161438607 542729196 /nfs/dbraw/zinc/72/91/96/542729196.db2.gz KNQJRPCKHDOZQE-NEPJUHHUSA-N 1 0 319.430 2.640 20 70 DFIDRO Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160771576 542724743 /nfs/dbraw/zinc/72/47/43/542724743.db2.gz HYSVNDNOIBRCGO-LSDHHAIUSA-N 1 0 311.429 2.780 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000161060433 542726719 /nfs/dbraw/zinc/72/67/19/542726719.db2.gz DHQOWZHGXQXTDH-KGLIPLIRSA-N 1 0 318.808 2.525 20 70 DFIDRO C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)Cc1cccs1 ZINC000161096922 542726756 /nfs/dbraw/zinc/72/67/56/542726756.db2.gz KVSABWBLRNGTGS-CXAGYDPISA-N 1 0 314.454 2.930 20 70 DFIDRO CC[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000217536987 542877186 /nfs/dbraw/zinc/87/71/86/542877186.db2.gz APOQFEAINSZIFQ-KBPBESRZSA-N 1 0 310.463 2.560 20 70 DFIDRO Cn1cc(C2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)cn1 ZINC000160443079 145220674 /nfs/dbraw/zinc/22/06/74/145220674.db2.gz QXTHNPMXWGAFBX-UHFFFAOYSA-N 1 0 321.428 2.985 20 70 DFIDRO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160832536 145221726 /nfs/dbraw/zinc/22/17/26/145221726.db2.gz HJZFJJVPRZGKBZ-GJZGRUSLSA-N 1 0 314.433 2.684 20 70 DFIDRO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(OC)c(OC)c1 ZINC000159510112 286906527 /nfs/dbraw/zinc/90/65/27/286906527.db2.gz CFJKTTOXZHHSAO-OAHLLOKOSA-N 1 0 320.433 2.757 20 70 DFIDRO C[C@H]([NH2+]Cc1cncn1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218177696 268139737 /nfs/dbraw/zinc/13/97/37/268139737.db2.gz QTLGLRDDCFNSFA-KBPBESRZSA-N 1 0 322.453 2.545 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1noc2ccccc12 ZINC000160447272 425983236 /nfs/dbraw/zinc/98/32/36/425983236.db2.gz VSWBNOXAIOVLPB-CQSZACIVSA-N 1 0 315.417 2.607 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCOc3ccc(C)cc31)CC2 ZINC000160445905 425983327 /nfs/dbraw/zinc/98/33/27/425983327.db2.gz XXMJMICHEXPTHT-ZBFHGGJFSA-N 1 0 312.417 2.713 20 70 DFIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000160494776 425983788 /nfs/dbraw/zinc/98/37/88/425983788.db2.gz PCXCOYCHSGDHNE-UKRRQHHQSA-N 1 0 315.377 2.550 20 70 DFIDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)[C@H]1CCOC1 ZINC000160473060 425984239 /nfs/dbraw/zinc/98/42/39/425984239.db2.gz BIWJXQXIICMEKV-WBVHZDCISA-N 1 0 303.450 2.833 20 70 DFIDRO COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000160509760 425985358 /nfs/dbraw/zinc/98/53/58/425985358.db2.gz MGHIWQKLJAAHDA-HFTRVMKXSA-N 1 0 307.434 2.914 20 70 DFIDRO Cc1cc(C#N)ccc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000160538306 425986402 /nfs/dbraw/zinc/98/64/02/425986402.db2.gz MJIDOAKCWNKSOU-UHFFFAOYSA-N 1 0 307.397 2.858 20 70 DFIDRO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160529037 425986830 /nfs/dbraw/zinc/98/68/30/425986830.db2.gz YKCVUIBRHRPGLB-GXFFZTMASA-N 1 0 320.824 2.914 20 70 DFIDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cccc(N2CCOC2=O)c1 ZINC000160538198 425986882 /nfs/dbraw/zinc/98/68/82/425986882.db2.gz LYGSTCZPEYGTQJ-QRTARXTBSA-N 1 0 318.417 2.845 20 70 DFIDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(F)cc(F)cc1F ZINC000160574634 425987207 /nfs/dbraw/zinc/98/72/07/425987207.db2.gz WDDNGUGSFDNISO-JTQLQIEISA-N 1 0 300.324 2.708 20 70 DFIDRO CN(Cc1cnc(N2CCOCC2)s1)Cc1ccccc1F ZINC000160725773 425993418 /nfs/dbraw/zinc/99/34/18/425993418.db2.gz ROTVFVUNEPWLFC-UHFFFAOYSA-N 1 0 321.421 2.751 20 70 DFIDRO CCc1ccc(C(=O)CCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160725036 425993811 /nfs/dbraw/zinc/99/38/11/425993811.db2.gz OWKVNPMMORPNCB-CALCHBBNSA-N 1 0 314.429 2.565 20 70 DFIDRO Cc1nc2ccccn2c1CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000160802570 425996864 /nfs/dbraw/zinc/99/68/64/425996864.db2.gz GPLXKNQLISHXJA-MRXNPFEDSA-N 1 0 300.450 2.949 20 70 DFIDRO CC[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)c1cnn(C)c1 ZINC000160853552 425998811 /nfs/dbraw/zinc/99/88/11/425998811.db2.gz DYYFGGGPSALOGH-MAUKXSAKSA-N 1 0 300.450 2.981 20 70 DFIDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160902682 425999921 /nfs/dbraw/zinc/99/99/21/425999921.db2.gz RFDUFGBWAFMYJN-HNNXBMFYSA-N 1 0 317.433 2.551 20 70 DFIDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160895023 426000562 /nfs/dbraw/zinc/00/05/62/426000562.db2.gz NEYUUDZKEHRSMM-ZBFHGGJFSA-N 1 0 310.482 2.506 20 70 DFIDRO CN(C)C(=O)c1ccc(C[NH2+][C@@H]2CCCc3sccc32)[nH]1 ZINC000160952799 426002652 /nfs/dbraw/zinc/00/26/52/426002652.db2.gz HATMBRKILIOIFY-CYBMUJFWSA-N 1 0 303.431 2.945 20 70 DFIDRO CC(C)NC(=O)C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000160955599 426003099 /nfs/dbraw/zinc/00/30/99/426003099.db2.gz HQZIHWFTIGEURY-NEPJUHHUSA-N 1 0 305.447 2.903 20 70 DFIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cnccn3)CC2)cc1 ZINC000160993448 426004148 /nfs/dbraw/zinc/00/41/48/426004148.db2.gz YZYQWZLNCKSXAK-OAHLLOKOSA-N 1 0 324.428 2.740 20 70 DFIDRO CC1(C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000159396069 425959190 /nfs/dbraw/zinc/95/91/90/425959190.db2.gz NDEMERILVPBBSZ-INIZCTEOSA-N 1 0 304.409 2.952 20 70 DFIDRO COC[C@H]([NH2+]C1CCN(Cc2cccc(C)c2)CC1)C1CC1 ZINC000159364756 425959307 /nfs/dbraw/zinc/95/93/07/425959307.db2.gz MKJRCZMKVRNZNX-IBGZPJMESA-N 1 0 302.462 2.974 20 70 DFIDRO C[C@@H](CCn1cccn1)[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000159361207 425959333 /nfs/dbraw/zinc/95/93/33/425959333.db2.gz BRTCGLYHRHYZDL-HOTGVXAUSA-N 1 0 307.438 2.717 20 70 DFIDRO COCCN(C)CC[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000159422108 425961131 /nfs/dbraw/zinc/96/11/31/425961131.db2.gz SAKBGOMPZDLFBX-LBPRGKRZSA-N 1 0 320.355 2.814 20 70 DFIDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)CN1C1CC1 ZINC000159500089 425961619 /nfs/dbraw/zinc/96/16/19/425961619.db2.gz FBLCNQYDRHGSDN-NXHRZFHOSA-N 1 0 324.472 2.742 20 70 DFIDRO Cc1c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cnn1CC(C)C ZINC000159525076 425961941 /nfs/dbraw/zinc/96/19/41/425961941.db2.gz IPYXWYIASBQIPV-UHFFFAOYSA-N 1 0 320.481 2.840 20 70 DFIDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159512306 425962137 /nfs/dbraw/zinc/96/21/37/425962137.db2.gz LQULTLYDHYWGSX-OIISXLGYSA-N 1 0 323.481 2.508 20 70 DFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000159589823 425963240 /nfs/dbraw/zinc/96/32/40/425963240.db2.gz KVJRGNFZKNEKHX-ONGXEEELSA-N 1 0 318.314 2.930 20 70 DFIDRO CC(C)COc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159549045 425963373 /nfs/dbraw/zinc/96/33/73/425963373.db2.gz MRGATGXJCNWVLD-IYBDPMFKSA-N 1 0 302.418 2.688 20 70 DFIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C[C@@H]1CCCOC1 ZINC000159556630 425963597 /nfs/dbraw/zinc/96/35/97/425963597.db2.gz RHEBKIPDHXEMKZ-INIZCTEOSA-N 1 0 310.482 2.630 20 70 DFIDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CCCC1=O ZINC000159562623 425963611 /nfs/dbraw/zinc/96/36/11/425963611.db2.gz WSMMPVSTBCPCOC-KRWDZBQOSA-N 1 0 302.418 2.675 20 70 DFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000159625942 425964350 /nfs/dbraw/zinc/96/43/50/425964350.db2.gz ILRALFUPKLXNBY-MWLCHTKSSA-N 1 0 318.314 2.930 20 70 DFIDRO Cc1nc(CC(C)C)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)s1 ZINC000159605348 425964685 /nfs/dbraw/zinc/96/46/85/425964685.db2.gz QWWWIFWUNCIHPK-BETUJISGSA-N 1 0 307.463 2.617 20 70 DFIDRO Cc1ccccc1[C@H](C)[NH2+]C1CCN(C(=O)c2cnccn2)CC1 ZINC000159658050 425965185 /nfs/dbraw/zinc/96/51/85/425965185.db2.gz YROIFBGQSDDAJB-HNNXBMFYSA-N 1 0 324.428 2.740 20 70 DFIDRO Cc1ccc(-c2ncc(C[N@H+]3C[C@H](C(N)=O)CC[C@@H]3C)s2)o1 ZINC000159679944 425965256 /nfs/dbraw/zinc/96/52/56/425965256.db2.gz OZFGIHCXMJFNRY-CMPLNLGQSA-N 1 0 319.430 2.797 20 70 DFIDRO CC(C)NC(=O)C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000161003574 426005155 /nfs/dbraw/zinc/00/51/55/426005155.db2.gz CSHALMCLNADTMC-ZDUSSCGKSA-N 1 0 316.323 2.687 20 70 DFIDRO COc1ccccc1-c1cnc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)o1 ZINC000159769603 425967520 /nfs/dbraw/zinc/96/75/20/425967520.db2.gz POONPKPILCRLMR-ZFWWWQNUSA-N 1 0 316.401 2.943 20 70 DFIDRO C[C@H](C(=O)N1CCCCCC1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159832589 425968667 /nfs/dbraw/zinc/96/86/67/425968667.db2.gz NDZZMZNLVOSEAQ-MRXNPFEDSA-N 1 0 317.477 2.976 20 70 DFIDRO O=C(c1csc(-c2ccsc2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159934409 425970147 /nfs/dbraw/zinc/97/01/47/425970147.db2.gz CXRRETCJKUKLQG-TXEJJXNPSA-N 1 0 319.455 2.838 20 70 DFIDRO Cc1ccc(C(=O)NC2CC[NH+](CCOCC3CC3)CC2)s1 ZINC000159891355 425970154 /nfs/dbraw/zinc/97/01/54/425970154.db2.gz YDCVDRQDOYQEOU-UHFFFAOYSA-N 1 0 322.474 2.677 20 70 DFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1(C)CCC1 ZINC000159929814 425970747 /nfs/dbraw/zinc/97/07/47/425970747.db2.gz XHOCFTKLXMPDMG-HOCLYGCPSA-N 1 0 301.434 2.749 20 70 DFIDRO C[NH+]=C(NC[C@H]1CC=CCC1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000159959591 425971987 /nfs/dbraw/zinc/97/19/87/425971987.db2.gz VMKRBUIDFVRTLP-IXDOHACOSA-N 1 0 315.465 2.698 20 70 DFIDRO COc1ccc(C[NH2+]CC2(CO)CCCC2)c(Cl)c1OC ZINC000160119616 425974914 /nfs/dbraw/zinc/97/49/14/425974914.db2.gz ZZJONXBVFTZAOT-UHFFFAOYSA-N 1 0 313.825 3.000 20 70 DFIDRO Cc1ccc(N2CCCC2)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160158538 425975223 /nfs/dbraw/zinc/97/52/23/425975223.db2.gz HYIKMALVHLAUSB-IYBDPMFKSA-N 1 0 313.445 2.562 20 70 DFIDRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](COC)C2CC2)cc1 ZINC000160119423 425975227 /nfs/dbraw/zinc/97/52/27/425975227.db2.gz RKFAPSRNSCSBTC-KRWDZBQOSA-N 1 0 304.434 2.731 20 70 DFIDRO Cn1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1-c1ccccc1 ZINC000160210356 425976318 /nfs/dbraw/zinc/97/63/18/425976318.db2.gz IOYPZGKJYNDTGM-IYBDPMFKSA-N 1 0 309.413 2.659 20 70 DFIDRO CCC[C@@H]([NH2+][C@H](CC)COC)C(=O)N1CCc2sccc2C1 ZINC000160200725 425976387 /nfs/dbraw/zinc/97/63/87/425976387.db2.gz QOKQJOIVBMPFOH-HUUCEWRRSA-N 1 0 324.490 2.816 20 70 DFIDRO CC1(C)C[C@@H](NC(=O)C2(C[NH3+])CCCC2)c2ccccc2O1 ZINC000160341478 425979332 /nfs/dbraw/zinc/97/93/32/425979332.db2.gz RPEZXLRCFJWOIP-CQSZACIVSA-N 1 0 302.418 2.924 20 70 DFIDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCCCO1 ZINC000161397585 426022462 /nfs/dbraw/zinc/02/24/62/426022462.db2.gz UMCNATCAEZNPCV-KGLIPLIRSA-N 1 0 308.447 2.570 20 70 DFIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC000161412267 426022931 /nfs/dbraw/zinc/02/29/31/426022931.db2.gz LCXPWYBWHVDQAA-SKDRFNHKSA-N 1 0 300.324 2.562 20 70 DFIDRO CC[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000161420246 426023161 /nfs/dbraw/zinc/02/31/61/426023161.db2.gz PKWZKCPOBSDUEQ-GOEBONIOSA-N 1 0 310.463 2.523 20 70 DFIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000161420122 426023171 /nfs/dbraw/zinc/02/31/71/426023171.db2.gz PKWZKCPOBSDUEQ-GDBMZVCRSA-N 1 0 310.463 2.523 20 70 DFIDRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000161405703 426023458 /nfs/dbraw/zinc/02/34/58/426023458.db2.gz HGBBYSDDOPPWFF-CQSZACIVSA-N 1 0 300.381 2.743 20 70 DFIDRO Fc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000161405554 426023552 /nfs/dbraw/zinc/02/35/52/426023552.db2.gz HGBBYSDDOPPWFF-AWEZNQCLSA-N 1 0 300.381 2.743 20 70 DFIDRO CCOc1ccc(C[NH2+]C2CCC(NC(C)=O)CC2)cc1F ZINC000161430814 426024525 /nfs/dbraw/zinc/02/45/25/426024525.db2.gz ZGAPUAZQDXVHNU-UHFFFAOYSA-N 1 0 308.397 2.761 20 70 DFIDRO Cc1cc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)no1 ZINC000161461888 426026031 /nfs/dbraw/zinc/02/60/31/426026031.db2.gz LFAKYYYBAVAOCG-UHFFFAOYSA-N 1 0 305.422 2.756 20 70 DFIDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000161511031 426027491 /nfs/dbraw/zinc/02/74/91/426027491.db2.gz LVFKADRUBBZGIM-CQSZACIVSA-N 1 0 301.434 2.558 20 70 DFIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC000161087185 426007952 /nfs/dbraw/zinc/00/79/52/426007952.db2.gz XTKLLKWTMPFORS-KBPBESRZSA-N 1 0 314.433 2.799 20 70 DFIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC000161087330 426008360 /nfs/dbraw/zinc/00/83/60/426008360.db2.gz XTKLLKWTMPFORS-ZIAGYGMSSA-N 1 0 314.433 2.799 20 70 DFIDRO CCO[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)C12CCCC2 ZINC000161113290 426008716 /nfs/dbraw/zinc/00/87/16/426008716.db2.gz WGTJBXIMDUNZGH-BZUAXINKSA-N 1 0 302.418 2.540 20 70 DFIDRO O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCC1CCCCC1 ZINC000161093537 426008792 /nfs/dbraw/zinc/00/87/92/426008792.db2.gz MRYMOFPSDOFKNL-MJGOQNOKSA-N 1 0 322.493 2.700 20 70 DFIDRO CCO[C@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)C12CCCC2 ZINC000161112835 426008862 /nfs/dbraw/zinc/00/88/62/426008862.db2.gz FNQAILMXXKHICU-HOTGVXAUSA-N 1 0 302.418 2.613 20 70 DFIDRO COCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161090311 426009270 /nfs/dbraw/zinc/00/92/70/426009270.db2.gz QLDMXDKTCBVEGD-UONOGXRCSA-N 1 0 303.324 2.850 20 70 DFIDRO CCCN(CC[NH+](CC)CC)Cc1nnc(-c2ccco2)o1 ZINC000161138477 426010205 /nfs/dbraw/zinc/01/02/05/426010205.db2.gz DPUHSZUPSBPUQT-UHFFFAOYSA-N 1 0 306.410 2.883 20 70 DFIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](COC)C2CC2)c1 ZINC000161150521 426010436 /nfs/dbraw/zinc/01/04/36/426010436.db2.gz VUJWQHUZPYBVGX-DYVFJYSZSA-N 1 0 304.434 2.730 20 70 DFIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000161192390 426012499 /nfs/dbraw/zinc/01/24/99/426012499.db2.gz XSQRQAGWPBOTLE-CMPZQBNXSA-N 1 0 308.491 2.949 20 70 DFIDRO OCCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161196337 426012558 /nfs/dbraw/zinc/01/25/58/426012558.db2.gz RLJXQCCMTLCPMG-UONOGXRCSA-N 1 0 303.324 2.586 20 70 DFIDRO CCC[C@H](C(=O)N(C)Cc1ccc(OC(F)F)cc1)[NH+](C)C ZINC000161216914 426013355 /nfs/dbraw/zinc/01/33/55/426013355.db2.gz KXXOUJOXMGEZLE-CQSZACIVSA-N 1 0 314.376 2.977 20 70 DFIDRO CC[C@H](NC(=O)[C@@H]([NH3+])CCSC)c1ccc(F)cc1F ZINC000161210601 426013772 /nfs/dbraw/zinc/01/37/72/426013772.db2.gz NPEXBQLIPSLNMM-STQMWFEESA-N 1 0 302.390 2.613 20 70 DFIDRO COc1cccc(Cl)c1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000161226508 426014170 /nfs/dbraw/zinc/01/41/70/426014170.db2.gz DJFKMAJBJFXRNK-YPMHNXCESA-N 1 0 310.825 2.807 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000161254894 426014789 /nfs/dbraw/zinc/01/47/89/426014789.db2.gz VYNLVZFEVKTGJP-ZWNOBZJWSA-N 1 0 311.223 2.567 20 70 DFIDRO Cc1ccc(C)c([C@@H]2CN(C(=O)C[C@@H]3CCC[NH2+]3)[C@H](C)CO2)c1 ZINC000161275512 426016461 /nfs/dbraw/zinc/01/64/61/426016461.db2.gz JTIMQVXPPCNEJC-RYRKJORJSA-N 1 0 316.445 2.734 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000161302188 426017458 /nfs/dbraw/zinc/01/74/58/426017458.db2.gz WFSLUTOFYSXDPW-ZDUSSCGKSA-N 1 0 319.792 2.819 20 70 DFIDRO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)ncn1 ZINC000161316612 426018184 /nfs/dbraw/zinc/01/81/84/426018184.db2.gz HOSKZDBHFRTZQF-UHFFFAOYSA-N 1 0 324.428 2.701 20 70 DFIDRO CCn1cnnc1[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000161328086 426018489 /nfs/dbraw/zinc/01/84/89/426018489.db2.gz DGMPOYKXVWXXHN-CQSZACIVSA-N 1 0 318.396 2.696 20 70 DFIDRO CCC[C@@H](C(=O)NCc1ccccc1OC(F)(F)F)[NH+](C)C ZINC000161347720 426021369 /nfs/dbraw/zinc/02/13/69/426021369.db2.gz IQCKYRQKBNIWEY-LBPRGKRZSA-N 1 0 318.339 2.932 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000161364160 426021406 /nfs/dbraw/zinc/02/14/06/426021406.db2.gz DIJSIVIZMMJFRG-CYBMUJFWSA-N 1 0 319.405 2.716 20 70 DFIDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000161402546 426021640 /nfs/dbraw/zinc/02/16/40/426021640.db2.gz CEFHMICLWNSRTM-OAHLLOKOSA-N 1 0 312.417 2.613 20 70 DFIDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000161397976 426021713 /nfs/dbraw/zinc/02/17/13/426021713.db2.gz UMCNATCAEZNPCV-UONOGXRCSA-N 1 0 308.447 2.570 20 70 DFIDRO COc1cc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)ccn1 ZINC000217933992 426565652 /nfs/dbraw/zinc/56/56/52/426565652.db2.gz JDSSSXXWGBSGIA-UHFFFAOYSA-N 1 0 321.421 2.579 20 70 DFIDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217852319 426565862 /nfs/dbraw/zinc/56/58/62/426565862.db2.gz HKNCIAVATUCYMB-QPUJVOFHSA-N 1 0 322.243 2.790 20 70 DFIDRO Cc1cccc([C@H](NC(=O)C2CC[NH+](C)CC2)c2ccccn2)c1 ZINC000160213175 271080057 /nfs/dbraw/zinc/08/00/57/271080057.db2.gz UZUFEOHBIZDQTA-IBGZPJMESA-N 1 0 323.440 2.937 20 70 DFIDRO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160529166 274112631 /nfs/dbraw/zinc/11/26/31/274112631.db2.gz YKCVUIBRHRPGLB-GWCFXTLKSA-N 1 0 320.824 2.914 20 70 DFIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccccc1OC ZINC000160533423 276641298 /nfs/dbraw/zinc/64/12/98/276641298.db2.gz PUICGIPBTFFQKT-ZFWWWQNUSA-N 1 0 300.406 2.651 20 70 DFIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)C1CCOCC1 ZINC000159840590 277622518 /nfs/dbraw/zinc/62/25/18/277622518.db2.gz AIEHWXZAQFCGDR-JKSUJKDBSA-N 1 0 302.462 2.838 20 70 DFIDRO C[C@@H]1CCc2c(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)csc2C1 ZINC000160572331 277803149 /nfs/dbraw/zinc/80/31/49/277803149.db2.gz NOEDAWWXNOWVHZ-UPJWGTAASA-N 1 0 304.459 2.839 20 70 DFIDRO CC1(C)CN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CCS1 ZINC000160926151 281156765 /nfs/dbraw/zinc/15/67/65/281156765.db2.gz QVLMEDGSWVMCNU-UHFFFAOYSA-N 1 0 318.486 2.662 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCOc3cc(C)ccc31)CC2 ZINC000160366243 293554480 /nfs/dbraw/zinc/55/44/80/293554480.db2.gz HIOLCVXBAAEENW-GDBMZVCRSA-N 1 0 312.417 2.713 20 70 DFIDRO CCc1cccc2c(CCNC(=O)CC[NH2+]C(C)C)c[nH]c21 ZINC000159371685 295375601 /nfs/dbraw/zinc/37/56/01/295375601.db2.gz VUVINTHTAXHXOT-UHFFFAOYSA-N 1 0 301.434 2.777 20 70 DFIDRO CCC[N@H+](CC)CCNC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 ZINC000159411907 295376365 /nfs/dbraw/zinc/37/63/65/295376365.db2.gz PBDBRWOJGWAXAO-HNNXBMFYSA-N 1 0 321.465 2.697 20 70 DFIDRO COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159616264 295379108 /nfs/dbraw/zinc/37/91/08/295379108.db2.gz XKRLOJOGTYDJPL-RDJZCZTQSA-N 1 0 316.445 2.618 20 70 DFIDRO CC(C)COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000159646937 295379320 /nfs/dbraw/zinc/37/93/20/295379320.db2.gz OLIRNXXBXZNAGB-RHSMWYFYSA-N 1 0 304.434 2.993 20 70 DFIDRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H]1CCCSC1 ZINC000159650790 295379831 /nfs/dbraw/zinc/37/98/31/295379831.db2.gz MXNKMWILIMRYLI-GOEBONIOSA-N 1 0 306.475 2.609 20 70 DFIDRO CC[C@@H](C)OCC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159727533 295380639 /nfs/dbraw/zinc/38/06/39/295380639.db2.gz SYPZOPCXEUTINF-AEFFLSMTSA-N 1 0 318.461 2.925 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)Cc1cn2cccnc2n1 ZINC000159868108 295383061 /nfs/dbraw/zinc/38/30/61/295383061.db2.gz WEIVQCFGVZRSSC-UHFFFAOYSA-N 1 0 301.419 2.639 20 70 DFIDRO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000159895973 295383690 /nfs/dbraw/zinc/38/36/90/295383690.db2.gz FLNCRUQNRJWVSK-STQMWFEESA-N 1 0 306.454 2.511 20 70 DFIDRO CCCCn1ncc(NC(=O)NCC[N@H+](CC)C(C)C)c1C ZINC000160088002 295386599 /nfs/dbraw/zinc/38/65/99/295386599.db2.gz XLMUJFPJGCWJTO-UHFFFAOYSA-N 1 0 309.458 2.843 20 70 DFIDRO C[NH+](C)CCN(C(=O)NCc1ccc(C#N)cc1)C1CCCC1 ZINC000160157127 295387446 /nfs/dbraw/zinc/38/74/46/295387446.db2.gz WTFXJCIGYFLUSN-UHFFFAOYSA-N 1 0 314.433 2.574 20 70 DFIDRO CC[NH+](CC)[C@@H](CNC(=O)C1(C)CC1)c1cccc(OC)c1 ZINC000160243878 295388242 /nfs/dbraw/zinc/38/82/42/295388242.db2.gz YMWSHNSFEBABCL-INIZCTEOSA-N 1 0 304.434 2.994 20 70 DFIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC3(CCC3)C2)C1 ZINC000160288074 295389361 /nfs/dbraw/zinc/38/93/61/295389361.db2.gz ZJLIIFZWBFOCTB-HZPDHXFCSA-N 1 0 307.482 2.940 20 70 DFIDRO CCCc1ncc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)s1 ZINC000160404543 295390869 /nfs/dbraw/zinc/39/08/69/295390869.db2.gz WJMADRWHJSBDPI-CYBMUJFWSA-N 1 0 309.479 2.946 20 70 DFIDRO CC[C@@H](OC1CCCC1)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160466801 295391661 /nfs/dbraw/zinc/39/16/61/295391661.db2.gz DZNGNIUPPASCAJ-NVXWUHKLSA-N 1 0 310.482 2.961 20 70 DFIDRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160471411 295391678 /nfs/dbraw/zinc/39/16/78/295391678.db2.gz MSKDNGNFBXXGOM-ZENOOKHLSA-N 1 0 308.397 2.684 20 70 DFIDRO COc1ccc(CCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160454200 295391712 /nfs/dbraw/zinc/39/17/12/295391712.db2.gz NGDQWNFROBIIFY-QGZVFWFLSA-N 1 0 318.461 2.864 20 70 DFIDRO O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NC(=O)Nc1ccccc1 ZINC000160566785 295393121 /nfs/dbraw/zinc/39/31/21/295393121.db2.gz ZFIBILHHVUHQEY-HOCLYGCPSA-N 1 0 315.417 2.989 20 70 DFIDRO C[C@@H](CNC(=O)Cc1c[nH]c2cc(F)ccc12)C[NH+]1CCCC1 ZINC000160611755 295393498 /nfs/dbraw/zinc/39/34/98/295393498.db2.gz TVXDCUPQGLCIED-ZDUSSCGKSA-N 1 0 317.408 2.698 20 70 DFIDRO CCC(CC)n1ncc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000160664996 295394301 /nfs/dbraw/zinc/39/43/01/295394301.db2.gz KFMOPHPKWDPBMR-AWEZNQCLSA-N 1 0 318.465 2.767 20 70 DFIDRO COc1cccc(N2CC[NH+](Cc3cccc4c[nH]nc43)CC2)c1 ZINC000160686548 295394475 /nfs/dbraw/zinc/39/44/75/295394475.db2.gz SCROGXSFDJKNAW-UHFFFAOYSA-N 1 0 322.412 2.894 20 70 DFIDRO COc1cccc(N2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)c1 ZINC000160684395 295394589 /nfs/dbraw/zinc/39/45/89/295394589.db2.gz TXSMMZAQSGPRSA-UHFFFAOYSA-N 1 0 322.412 2.894 20 70 DFIDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160726253 295394794 /nfs/dbraw/zinc/39/47/94/295394794.db2.gz YBNSNTJQSUACMF-AWEZNQCLSA-N 1 0 323.506 2.974 20 70 DFIDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160726126 295395062 /nfs/dbraw/zinc/39/50/62/295395062.db2.gz YBNSNTJQSUACMF-CQSZACIVSA-N 1 0 323.506 2.974 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C2CCOCC2)C1 ZINC000160853641 295396030 /nfs/dbraw/zinc/39/60/30/295396030.db2.gz OTTNVMRYUONKQL-HOTGVXAUSA-N 1 0 310.482 2.533 20 70 DFIDRO CC[NH+](CC)[C@H](C(=O)N[C@@H](CO)CC(C)C)c1ccccc1 ZINC000161040631 295398074 /nfs/dbraw/zinc/39/80/74/295398074.db2.gz NUWNUNDUPGAQEY-SJORKVTESA-N 1 0 306.450 2.593 20 70 DFIDRO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCCC[NH+]1CCCCCC1 ZINC000161088835 295398418 /nfs/dbraw/zinc/39/84/18/295398418.db2.gz XNXDNIOYRNLVAQ-AWEZNQCLSA-N 1 0 320.481 2.902 20 70 DFIDRO N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160444456 303186258 /nfs/dbraw/zinc/18/62/58/303186258.db2.gz HVQYRDBVYXJXRT-MRXNPFEDSA-N 1 0 314.389 2.921 20 70 DFIDRO CC(C)Oc1cccc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160459129 519782243 /nfs/dbraw/zinc/78/22/43/519782243.db2.gz OVWZJXSRKIJWAX-AEHISBCRSA-N 1 0 314.429 2.840 20 70 DFIDRO CCN(CC)c1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000159835234 520892842 /nfs/dbraw/zinc/89/28/42/520892842.db2.gz JRTKVSBNTJOLHZ-UHFFFAOYSA-N 1 0 303.450 2.620 20 70 DFIDRO CC[N@H+](Cc1ccccn1)Cc1cc(OC)c(OC)cc1O ZINC000160380240 521394826 /nfs/dbraw/zinc/39/48/26/521394826.db2.gz KMJBBPZKEIHHGW-UHFFFAOYSA-N 1 0 302.374 2.827 20 70 DFIDRO COCC[C@H](C)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161129088 521921179 /nfs/dbraw/zinc/92/11/79/521921179.db2.gz PGOGMCRKRQDHAH-UONOGXRCSA-N 1 0 312.404 2.944 20 70 DFIDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160415277 521935373 /nfs/dbraw/zinc/93/53/73/521935373.db2.gz RXMSWDTXPPKIII-GJZGRUSLSA-N 1 0 324.490 2.995 20 70 DFIDRO Cn1ncc2c1CCC[C@H]2NC[C@H](C1CCCCC1)[NH+](C)C ZINC000160421473 522090228 /nfs/dbraw/zinc/09/02/28/522090228.db2.gz URAPCYGQJFANEX-SJLPKXTDSA-N 1 0 304.482 2.898 20 70 DFIDRO COC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1)C1CC1 ZINC000161057539 522345065 /nfs/dbraw/zinc/34/50/65/522345065.db2.gz NXAXXWSLNQFCPE-GOSISDBHSA-N 1 0 316.445 2.614 20 70 DFIDRO CN(CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000160289979 522840619 /nfs/dbraw/zinc/84/06/19/522840619.db2.gz HNVSDOIGBHYUQV-IEBWSBKVSA-N 1 0 320.452 2.885 20 70 DFIDRO Cc1cccc(OCC(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000159684056 524717030 /nfs/dbraw/zinc/71/70/30/524717030.db2.gz STECBYQOLRBYCT-UHFFFAOYSA-N 1 0 304.434 2.802 20 70 DFIDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2)n1 ZINC000160332985 524850135 /nfs/dbraw/zinc/85/01/35/524850135.db2.gz WSLRKVZVOSBSGV-LPHOPBHVSA-N 1 0 312.413 2.967 20 70 DFIDRO Cc1c([C@H](C)[NH2+]CCCN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000159522372 525914904 /nfs/dbraw/zinc/91/49/04/525914904.db2.gz PLWGNQBMGYXOHX-ZDUSSCGKSA-N 1 0 305.378 2.566 20 70 DFIDRO C[C@H]1CCO[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000160377029 290608646 /nfs/dbraw/zinc/60/86/46/290608646.db2.gz LLBHBHLQNMJRHD-MAUKXSAKSA-N 1 0 316.445 2.534 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3cc(Cl)ccc31)CC2 ZINC000160531612 282119261 /nfs/dbraw/zinc/11/92/61/282119261.db2.gz RGZJLRSLSCLECV-ZFWWWQNUSA-N 1 0 302.809 2.832 20 70 DFIDRO c1cnn(-c2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)c1 ZINC000159552115 186127086 /nfs/dbraw/zinc/12/70/86/186127086.db2.gz LXTDFYHJAVIOOX-KURKYZTESA-N 1 0 309.413 2.920 20 70 DFIDRO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CSCCS1)CC2 ZINC000159567635 186127924 /nfs/dbraw/zinc/12/79/24/186127924.db2.gz BUDXSSMWJOHUJL-GOEBONIOSA-N 1 0 309.500 2.991 20 70 DFIDRO Cc1cccc(C[C@@H]([NH2+]CCCN2CCCC2=O)C2CC2)c1 ZINC000159574330 186128392 /nfs/dbraw/zinc/12/83/92/186128392.db2.gz JPGARAOTWZUWGF-GOSISDBHSA-N 1 0 300.446 2.918 20 70 DFIDRO COc1cc(C)cc(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000159659548 186133522 /nfs/dbraw/zinc/13/35/22/186133522.db2.gz URQWDKRYCVCSGL-OAHLLOKOSA-N 1 0 319.449 2.535 20 70 DFIDRO COc1cccc(CCC[NH+]2CCC(N(C)C(C)=O)CC2)c1 ZINC000159660820 186133660 /nfs/dbraw/zinc/13/36/60/186133660.db2.gz YKIPTXWCGHOYGV-UHFFFAOYSA-N 1 0 304.434 2.571 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cc(F)ccc2OC)CC1 ZINC000159670494 186133883 /nfs/dbraw/zinc/13/38/83/186133883.db2.gz QJVQPVKLISNNBR-ZDUSSCGKSA-N 1 0 323.412 2.633 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000159676878 186134784 /nfs/dbraw/zinc/13/47/84/186134784.db2.gz CNUNPKOEFNIKIM-UHFFFAOYSA-N 1 0 319.424 2.595 20 70 DFIDRO CCc1cccc(C)c1NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159692017 186135763 /nfs/dbraw/zinc/13/57/63/186135763.db2.gz KUUXUXXNPGHZOQ-HOTGVXAUSA-N 1 0 304.434 2.589 20 70 DFIDRO CC(C)[C@H](C(=O)NCCCO[C@H](C)c1ccccc1)[NH+](C)C ZINC000159702532 186136502 /nfs/dbraw/zinc/13/65/02/186136502.db2.gz QMMOOEADNIJIGZ-NVXWUHKLSA-N 1 0 306.450 2.857 20 70 DFIDRO CC[C@@H]([NH2+]CCNC(=O)c1cccnc1)c1ccc(F)cc1F ZINC000160757119 398973401 /nfs/dbraw/zinc/97/34/01/398973401.db2.gz VQJPFGXDTCFYFQ-MRXNPFEDSA-N 1 0 319.355 2.831 20 70 DFIDRO COC(=O)C1=NOC2(C1)CC[NH+](CCCCC(F)(F)F)CC2 ZINC000161336610 283746030 /nfs/dbraw/zinc/74/60/30/283746030.db2.gz AZCXILUEOFPCAZ-UHFFFAOYSA-N 1 0 322.327 2.503 20 70 DFIDRO C[C@@H]1CN(Cc2ccc(Br)c(F)c2)C[C@H](C)[NH2+]1 ZINC000161496503 197499240 /nfs/dbraw/zinc/49/92/40/197499240.db2.gz WRNILCWPUQMCCX-AOOOYVTPSA-N 1 0 301.203 2.770 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCCOc1ccccc1Cl ZINC000161378600 197491109 /nfs/dbraw/zinc/49/11/09/197491109.db2.gz BGLHLIGEBIYNFL-ZDUSSCGKSA-N 1 0 310.825 2.709 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000161302308 197482526 /nfs/dbraw/zinc/48/25/26/197482526.db2.gz WFSLUTOFYSXDPW-CYBMUJFWSA-N 1 0 319.792 2.819 20 70 DFIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000161061722 197461202 /nfs/dbraw/zinc/46/12/02/197461202.db2.gz WFEBLLZMBLGDBH-JKIFEVAISA-N 1 0 304.434 2.730 20 70 DFIDRO CCCOc1cccc(CC(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000160701818 197433050 /nfs/dbraw/zinc/43/30/50/197433050.db2.gz UVTDQMGJCOSUCV-UHFFFAOYSA-N 1 0 306.450 2.722 20 70 DFIDRO [NH3+]C[C@H]1CCCN1C(=O)CCCOc1cccc2ccccc21 ZINC000160378934 197404128 /nfs/dbraw/zinc/40/41/28/197404128.db2.gz PJMNSMXXGLXCBC-MRXNPFEDSA-N 1 0 312.413 2.949 20 70 DFIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000160242560 197394886 /nfs/dbraw/zinc/39/48/86/197394886.db2.gz GHZFQGIJLIWZBO-GJZGRUSLSA-N 1 0 304.459 2.903 20 70 DFIDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(C3SCCCS3)cc2)C1 ZINC000160219420 197393342 /nfs/dbraw/zinc/39/33/42/197393342.db2.gz QQTGDOADPRSZIS-CYBMUJFWSA-N 1 0 308.472 2.729 20 70 DFIDRO C[NH+](C)CC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000160136075 197388347 /nfs/dbraw/zinc/38/83/47/197388347.db2.gz DUQKLNFZMKOTSX-JOYOIKCWSA-N 1 0 301.217 2.775 20 70 DFIDRO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000160113009 197387137 /nfs/dbraw/zinc/38/71/37/197387137.db2.gz MCHZDUYKHLMHBZ-CQSZACIVSA-N 1 0 312.413 2.974 20 70 DFIDRO Cc1nc(CCNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)sc1C ZINC000160093527 197385089 /nfs/dbraw/zinc/38/50/89/197385089.db2.gz YTLLVUYFQOCMRI-NTZNESFSSA-N 1 0 309.479 2.680 20 70 DFIDRO CCN(C(=O)C[N@@H+]1CCCC[C@@H]1CO)[C@H](C)c1ccc(F)cc1 ZINC000159960544 197376738 /nfs/dbraw/zinc/37/67/38/197376738.db2.gz SDNOFIFFDMXLFI-RHSMWYFYSA-N 1 0 322.424 2.582 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(C)cc2SC)CC1 ZINC000159971798 197376782 /nfs/dbraw/zinc/37/67/82/197376782.db2.gz UTJZBTTZPPYQKE-UHFFFAOYSA-N 1 0 321.490 2.954 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](c2cccnc2)C(C)C)CC1 ZINC000159958146 197375778 /nfs/dbraw/zinc/37/57/78/197375778.db2.gz GMWAKMZYTDRQGF-KRWDZBQOSA-N 1 0 318.465 2.558 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000159940697 197374766 /nfs/dbraw/zinc/37/47/66/197374766.db2.gz BBACEMUNJBRHEN-HZPDHXFCSA-N 1 0 303.450 2.916 20 70 DFIDRO COc1cc(C)cc(CNC(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000159770411 197362656 /nfs/dbraw/zinc/36/26/56/197362656.db2.gz XLCUGIOMVKPCTM-UHFFFAOYSA-N 1 0 319.449 2.535 20 70 DFIDRO c1cc2c(cc1C[NH2+][C@H]1[C@H]3CCO[C@@H]3C13CCC3)OCCO2 ZINC000159509937 197359413 /nfs/dbraw/zinc/35/94/13/197359413.db2.gz SBTIORYBPKCYHH-COXVUDFISA-N 1 0 301.386 2.505 20 70 DFIDRO O=C1CCCN1CCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000159463816 197355679 /nfs/dbraw/zinc/35/56/79/197355679.db2.gz UIKREDXQJFJSDT-CQSZACIVSA-N 1 0 308.422 2.965 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000159455172 197355211 /nfs/dbraw/zinc/35/52/11/197355211.db2.gz MXMRQPHCBDKIHC-SJCJKPOMSA-N 1 0 324.852 2.922 20 70 DFIDRO COCCN(C)CC[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000159431639 197353627 /nfs/dbraw/zinc/35/36/27/197353627.db2.gz FDTYXVXAKZONBF-MRXNPFEDSA-N 1 0 313.445 2.977 20 70 DFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000159439979 197353054 /nfs/dbraw/zinc/35/30/54/197353054.db2.gz NCVFHOILJFKBOA-IUCAKERBSA-N 1 0 305.205 2.633 20 70 DFIDRO CCC[NH+](CCC)CCCC(=O)Nc1cc2c(cc1N)OCO2 ZINC000159420538 197352193 /nfs/dbraw/zinc/35/21/93/197352193.db2.gz BDIMCFXHMLTOQU-UHFFFAOYSA-N 1 0 321.421 2.838 20 70 DFIDRO CCC[C@@H](C(=O)Nc1nc(-c2cccnc2)cs1)[NH+](C)C ZINC000159364881 197347618 /nfs/dbraw/zinc/34/76/18/197347618.db2.gz RAJUERMFJPPKEN-ZDUSSCGKSA-N 1 0 304.419 2.874 20 70 DFIDRO O=C(NCCCO[C@@H]1CCCc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000160123585 295643775 /nfs/dbraw/zinc/64/37/75/295643775.db2.gz RBFWDJWNWYUIIO-ZWKOTPCHSA-N 1 0 316.445 2.729 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000159578568 542718776 /nfs/dbraw/zinc/71/87/76/542718776.db2.gz MYOMEVZFWKSXJP-OAHLLOKOSA-N 1 0 319.453 2.535 20 70 DFIDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H](C)c2ccncc2)CC1 ZINC000160070994 542720693 /nfs/dbraw/zinc/72/06/93/542720693.db2.gz WLVYTNHTGQSJEG-HNNXBMFYSA-N 1 0 301.434 2.732 20 70 DFIDRO CC[C@@H]([NH2+]Cc1ccnn1CC)c1ccc2c(c1)OCCO2 ZINC000160098042 542720781 /nfs/dbraw/zinc/72/07/81/542720781.db2.gz DMJPLVBZRWORSA-OAHLLOKOSA-N 1 0 301.390 2.915 20 70 DFIDRO COc1cc([C@H](C)[NH2+]Cc2cnn(C)c2C)cc(OC)c1OC ZINC000160122271 542721082 /nfs/dbraw/zinc/72/10/82/542721082.db2.gz VHWKIRFPCMEGME-NSHDSACASA-N 1 0 319.405 2.605 20 70 DFIDRO CC(C)OCC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000160185506 542721813 /nfs/dbraw/zinc/72/18/13/542721813.db2.gz KTPGSERPHMZFJD-NSHDSACASA-N 1 0 322.232 2.748 20 70 DFIDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(C)nc2)[C@H](C)C1 ZINC000161282364 542727563 /nfs/dbraw/zinc/72/75/63/542727563.db2.gz JPAMXQAQVQTEMY-QAPCUYQASA-N 1 0 305.466 2.617 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000161249454 542727808 /nfs/dbraw/zinc/72/78/08/542727808.db2.gz YTKXURFQIWDMIJ-PHIMTYICSA-N 1 0 311.223 2.580 20 70 DFIDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCCCS(C)(=O)=O ZINC000161327413 542728916 /nfs/dbraw/zinc/72/89/16/542728916.db2.gz GHKKYILMNREFBZ-LLVKDONJSA-N 1 0 305.390 2.782 20 70 DFIDRO CC(C)(C)c1ccccc1OCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161342716 542728940 /nfs/dbraw/zinc/72/89/40/542728940.db2.gz FMKYQOOZJYCTCI-KGLIPLIRSA-N 1 0 304.434 2.749 20 70 DFIDRO CSc1ccc(O[C@H](C)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161462772 542729507 /nfs/dbraw/zinc/72/95/07/542729507.db2.gz KWZRWPWXFFDMIL-FRRDWIJNSA-N 1 0 308.447 2.562 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2ccc(OC(F)F)cc2)C1 ZINC000161497980 542730792 /nfs/dbraw/zinc/73/07/92/542730792.db2.gz ODXCEVMYNDFEHE-OLZOCXBDSA-N 1 0 312.360 2.607 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000160775899 542724527 /nfs/dbraw/zinc/72/45/27/542724527.db2.gz FIFAIEICSMQNDJ-GJZGRUSLSA-N 1 0 313.401 2.660 20 70 DFIDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)CCc2ccccc2)cc1 ZINC000217713159 542878091 /nfs/dbraw/zinc/87/80/91/542878091.db2.gz WBKSUHMMERGVGI-KRWDZBQOSA-N 1 0 300.358 2.678 20 70 DFIDRO [NH3+]C1(CNC(=O)[C@@H]2COc3ccc(Cl)cc3C2)CCCCC1 ZINC000159462330 267528903 /nfs/dbraw/zinc/52/89/03/267528903.db2.gz QLYNOQJGETUTAF-ZDUSSCGKSA-N 1 0 322.836 2.669 20 70 DFIDRO C[C@@H](Cn1ccnc1)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000218099424 268139871 /nfs/dbraw/zinc/13/98/71/268139871.db2.gz BSJVWSRXDAHIOJ-NFOMZHRRSA-N 1 0 322.453 2.697 20 70 DFIDRO Cc1ccc2cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc2n1 ZINC000160360329 425980407 /nfs/dbraw/zinc/98/04/07/425980407.db2.gz RUURGBIYOAZOIP-UHFFFAOYSA-N 1 0 324.428 2.851 20 70 DFIDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160423303 425981263 /nfs/dbraw/zinc/98/12/63/425981263.db2.gz WYQHQRLCQKZOPS-TZMCWYRMSA-N 1 0 300.406 2.569 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000160414058 425981880 /nfs/dbraw/zinc/98/18/80/425981880.db2.gz CHBBWPZKIYBGTK-GFCCVEGCSA-N 1 0 310.825 2.525 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)Sc1ccc(OC)cc1 ZINC000160413651 425982322 /nfs/dbraw/zinc/98/23/22/425982322.db2.gz DRIMMPMXHMEINX-LBPRGKRZSA-N 1 0 310.463 2.810 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)CC2 ZINC000160416558 425982337 /nfs/dbraw/zinc/98/23/37/425982337.db2.gz RUGLVTVADYMYFC-CMPLNLGQSA-N 1 0 322.359 2.854 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)C(C)(C)c1ccc(OC)c(OC)c1 ZINC000160444574 425983018 /nfs/dbraw/zinc/98/30/18/425983018.db2.gz LMGGTXRNLDORJJ-UHFFFAOYSA-N 1 0 322.449 2.615 20 70 DFIDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccco1 ZINC000160490280 425984510 /nfs/dbraw/zinc/98/45/10/425984510.db2.gz CRXXQWKCZSGLAF-OAHLLOKOSA-N 1 0 300.402 2.963 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000160523477 425985198 /nfs/dbraw/zinc/98/51/98/425985198.db2.gz XOFRGKQHVIOURK-QGZVFWFLSA-N 1 0 314.433 2.769 20 70 DFIDRO COCc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160505837 425985402 /nfs/dbraw/zinc/98/54/02/425985402.db2.gz UTWAXDBGHOLKNK-QGZVFWFLSA-N 1 0 304.434 2.683 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000160523338 425985586 /nfs/dbraw/zinc/98/55/86/425985586.db2.gz XOFRGKQHVIOURK-KRWDZBQOSA-N 1 0 314.433 2.769 20 70 DFIDRO CC1(C)CCC(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000160542947 425986546 /nfs/dbraw/zinc/98/65/46/425986546.db2.gz LXAPAFASIAABQN-OAHLLOKOSA-N 1 0 322.493 2.820 20 70 DFIDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160529262 425986889 /nfs/dbraw/zinc/98/68/89/425986889.db2.gz YKCVUIBRHRPGLB-ZWNOBZJWSA-N 1 0 320.824 2.914 20 70 DFIDRO C[C@H](C(=O)N(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@H]([NH3+])c1ccccc1 ZINC000160563037 425987053 /nfs/dbraw/zinc/98/70/53/425987053.db2.gz DQOPGDPWWNUUHY-DWBZUHSKSA-N 1 0 316.445 2.594 20 70 DFIDRO O=C(NCC[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160570038 425987466 /nfs/dbraw/zinc/98/74/66/425987466.db2.gz HWDAYGUKLFTVBE-UKRRQHHQSA-N 1 0 308.372 2.670 20 70 DFIDRO CC[NH+](CC)[C@H](C(=O)N[C@@H](CCO)C(C)C)c1ccccc1 ZINC000160560184 425987733 /nfs/dbraw/zinc/98/77/33/425987733.db2.gz WKEHQSULNOSIJS-IRXDYDNUSA-N 1 0 306.450 2.593 20 70 DFIDRO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000160599607 425988243 /nfs/dbraw/zinc/98/82/43/425988243.db2.gz UPZSKGDNTBPFQY-SJORKVTESA-N 1 0 314.433 2.767 20 70 DFIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000160581030 425988952 /nfs/dbraw/zinc/98/89/52/425988952.db2.gz QMNRGCVWUBINLC-NEPJUHHUSA-N 1 0 318.421 2.551 20 70 DFIDRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCCCO2)cc1 ZINC000160625897 425989906 /nfs/dbraw/zinc/98/99/06/425989906.db2.gz YFXRICFQKBYGRC-KRWDZBQOSA-N 1 0 320.433 2.915 20 70 DFIDRO O=C(C[NH2+][C@H]1CCc2cc(Cl)ccc21)NCC(F)(F)F ZINC000160608511 425990158 /nfs/dbraw/zinc/99/01/58/425990158.db2.gz MFLVJZZTQQLTQX-NSHDSACASA-N 1 0 306.715 2.595 20 70 DFIDRO O=C(C[NH2+][C@@H]1CCc2cc(Cl)ccc21)NCC(F)(F)F ZINC000160608637 425990370 /nfs/dbraw/zinc/99/03/70/425990370.db2.gz MFLVJZZTQQLTQX-LLVKDONJSA-N 1 0 306.715 2.595 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000160628962 425991538 /nfs/dbraw/zinc/99/15/38/425991538.db2.gz NAWNXOCJOMRQCU-MJBXVCDLSA-N 1 0 312.335 2.629 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC000160760912 425995605 /nfs/dbraw/zinc/99/56/05/425995605.db2.gz NNVZEXLFKJGVSC-JOYOIKCWSA-N 1 0 317.216 2.581 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)C1 ZINC000160795419 425996829 /nfs/dbraw/zinc/99/68/29/425996829.db2.gz CEKSBOXBQCYRTJ-VHSXEESVSA-N 1 0 317.216 2.581 20 70 DFIDRO O=C(Nc1cccc(F)n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000160817587 425997771 /nfs/dbraw/zinc/99/77/71/425997771.db2.gz AWSDMEADSDABET-CYBMUJFWSA-N 1 0 306.385 2.560 20 70 DFIDRO C[NH+](C)Cc1ccnc(NC(=O)CCc2ccc(F)cc2F)c1 ZINC000160877694 425998736 /nfs/dbraw/zinc/99/87/36/425998736.db2.gz IEOPOWXPZOZOCY-UHFFFAOYSA-N 1 0 319.355 2.993 20 70 DFIDRO CC[NH+](CC)CCCNC(=O)NCC1(c2cccc(F)c2)CC1 ZINC000160871035 425998890 /nfs/dbraw/zinc/99/88/90/425998890.db2.gz RHUUMHSUESGKOO-UHFFFAOYSA-N 1 0 321.440 2.888 20 70 DFIDRO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC000160921307 426001319 /nfs/dbraw/zinc/00/13/19/426001319.db2.gz PUFVIDUAAVXLRP-HNNXBMFYSA-N 1 0 310.482 2.506 20 70 DFIDRO CN(C)C(=O)c1ccc(C[NH2+][C@H]2CCCc3sccc32)[nH]1 ZINC000160952900 426002661 /nfs/dbraw/zinc/00/26/61/426002661.db2.gz HATMBRKILIOIFY-ZDUSSCGKSA-N 1 0 303.431 2.945 20 70 DFIDRO CC[C@H]([NH2+]CC(=O)NC(C)C)c1ccccc1OC(F)F ZINC000160977342 426003665 /nfs/dbraw/zinc/00/36/65/426003665.db2.gz OXCILGPLLXADEG-LBPRGKRZSA-N 1 0 300.349 2.853 20 70 DFIDRO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160986645 426004155 /nfs/dbraw/zinc/00/41/55/426004155.db2.gz GKEQOPHGKNLSJQ-FRQCXROJSA-N 1 0 316.445 2.949 20 70 DFIDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(F)cc1F ZINC000160998957 426004556 /nfs/dbraw/zinc/00/45/56/426004556.db2.gz PNWAXVVWBBNOAT-XHDPSFHLSA-N 1 0 309.360 2.766 20 70 DFIDRO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000159369165 425959461 /nfs/dbraw/zinc/95/94/61/425959461.db2.gz IBZYWUXTJHAJRP-GOEBONIOSA-N 1 0 320.383 2.811 20 70 DFIDRO CC(C)[C@@H](Cc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159420939 425960260 /nfs/dbraw/zinc/96/02/60/425960260.db2.gz XHMHUZMWBOMZAW-FGTMMUONSA-N 1 0 300.446 2.854 20 70 DFIDRO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1OC(C)C ZINC000159533122 425961318 /nfs/dbraw/zinc/96/13/18/425961318.db2.gz YHXDDJKGUNXNNU-DZGCQCFKSA-N 1 0 320.433 2.568 20 70 DFIDRO [NH3+]C1(CNC(=O)CCOc2ccccc2Cl)CCCCC1 ZINC000159519904 425961801 /nfs/dbraw/zinc/96/18/01/425961801.db2.gz CKXVOIVWHDHGLB-UHFFFAOYSA-N 1 0 310.825 2.887 20 70 DFIDRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)C(C)(C)C[NH3+])cc1 ZINC000159533228 425961984 /nfs/dbraw/zinc/96/19/84/425961984.db2.gz BHPDASMHUWSDBG-HZPDHXFCSA-N 1 0 304.434 2.564 20 70 DFIDRO C=CCOc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1Cl ZINC000159516527 425962435 /nfs/dbraw/zinc/96/24/35/425962435.db2.gz KALKNGISZSYSLI-GXTWGEPZSA-N 1 0 322.836 2.991 20 70 DFIDRO O=C(Nc1cc(F)ccc1SCC(F)F)[C@]1(F)CC[NH2+]C1 ZINC000159593496 425963453 /nfs/dbraw/zinc/96/34/53/425963453.db2.gz VEUMXVHQEJGGKI-ZDUSSCGKSA-N 1 0 322.327 2.823 20 70 DFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000159627362 425963965 /nfs/dbraw/zinc/96/39/65/425963965.db2.gz ABVVRQQJPPITMH-RHSMWYFYSA-N 1 0 309.413 2.834 20 70 DFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnc(-c2cccs2)s1 ZINC000159624449 425964449 /nfs/dbraw/zinc/96/44/49/425964449.db2.gz VDLOMKIENIERQO-MNOVXSKESA-N 1 0 321.471 2.957 20 70 DFIDRO CCC[C@H](C(=O)NC1CC[NH+](Cc2ccsc2)CC1)[NH+](C)C ZINC000159659328 425965132 /nfs/dbraw/zinc/96/51/32/425965132.db2.gz CTFOHLYGIMSICM-MRXNPFEDSA-N 1 0 323.506 2.559 20 70 DFIDRO Cc1ccc(-c2noc(CN(C)C[C@H]3CCC[C@@H]3O)n2)cc1F ZINC000159657146 425965572 /nfs/dbraw/zinc/96/55/72/425965572.db2.gz ZJHRTBVGIDMJPJ-HIFRSBDPSA-N 1 0 319.380 2.777 20 70 DFIDRO CN(Cc1ccc(Br)cc1F)[C@@H](C[NH3+])C1CC1 ZINC000159744748 425966110 /nfs/dbraw/zinc/96/61/10/425966110.db2.gz DDVCEBCHAUCITP-ZDUSSCGKSA-N 1 0 301.203 2.757 20 70 DFIDRO CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159773970 425967948 /nfs/dbraw/zinc/96/79/48/425967948.db2.gz LRQZHZFBSLACBX-CZUORRHYSA-N 1 0 322.424 2.735 20 70 DFIDRO CO[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2)[C@H](C[NH3+])C1 ZINC000161023302 426005249 /nfs/dbraw/zinc/00/52/49/426005249.db2.gz KGRSQPOWNMQHPZ-KBPBESRZSA-N 1 0 303.233 2.932 20 70 DFIDRO C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000159858985 425969480 /nfs/dbraw/zinc/96/94/80/425969480.db2.gz FPNMRPBZGPCWFT-JYYAWHABSA-N 1 0 321.534 2.813 20 70 DFIDRO C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000159858848 425969640 /nfs/dbraw/zinc/96/96/40/425969640.db2.gz FPNMRPBZGPCWFT-KCYZZUKISA-N 1 0 321.534 2.813 20 70 DFIDRO CCC[N@@H+]1CCCN(C(=O)c2coc(-c3ccccc3)n2)CC1 ZINC000159930441 425970535 /nfs/dbraw/zinc/97/05/35/425970535.db2.gz QLPLPQHXEFURBS-UHFFFAOYSA-N 1 0 313.401 2.900 20 70 DFIDRO COc1ccc([C@@H]2C[C@H](C)N(C(=O)C[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000159986528 425971388 /nfs/dbraw/zinc/97/13/88/425971388.db2.gz XVTABDXOFNHQQF-IMJJTQAJSA-N 1 0 302.418 2.542 20 70 DFIDRO C=CCC[C@H]([NH2+]CCC(=O)N1CCOCC1)c1ccccc1 ZINC000159940648 425972195 /nfs/dbraw/zinc/97/21/95/425972195.db2.gz UYRKTKLAJLCVJO-KRWDZBQOSA-N 1 0 302.418 2.532 20 70 DFIDRO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160111946 425974059 /nfs/dbraw/zinc/97/40/59/425974059.db2.gz HGWLSBKEYZQQAL-OAHLLOKOSA-N 1 0 309.417 2.930 20 70 DFIDRO COc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2ccccc12 ZINC000160069327 425974519 /nfs/dbraw/zinc/97/45/19/425974519.db2.gz ZCNVPBOVBPPCOC-OKILXGFUSA-N 1 0 310.397 2.815 20 70 DFIDRO CSc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc1F ZINC000160095629 425974608 /nfs/dbraw/zinc/97/46/08/425974608.db2.gz DQNOIZRSXLRMOB-UHFFFAOYSA-N 1 0 323.437 2.855 20 70 DFIDRO CCOC[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160176558 425976289 /nfs/dbraw/zinc/97/62/89/425976289.db2.gz GXQRKUXHIVKLFN-HIFRSBDPSA-N 1 0 305.397 2.681 20 70 DFIDRO CSC[C@@H](CCO)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000160174115 425976366 /nfs/dbraw/zinc/97/63/66/425976366.db2.gz AYQIGPAGVHNBNL-HUUCEWRRSA-N 1 0 324.446 2.620 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1c3cccc(F)c3CC[C@@H]1C)CC2 ZINC000160323107 425979825 /nfs/dbraw/zinc/97/98/25/425979825.db2.gz ABBZHKZDEXEPNE-RRUGBERISA-N 1 0 314.408 2.954 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@H](C)COCc2ccccc2)CC1 ZINC000161387801 426022534 /nfs/dbraw/zinc/02/25/34/426022534.db2.gz YNLDIMQIYAKFMS-MNNVXMFVSA-N 1 0 318.461 2.876 20 70 DFIDRO CCC[N@@H+](Cc1c[nH]nc1C)C[C@H]1COc2ccccc2O1 ZINC000161428977 426022776 /nfs/dbraw/zinc/02/27/76/426022776.db2.gz RWXYXGSDOWKUQP-HNNXBMFYSA-N 1 0 301.390 2.770 20 70 DFIDRO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000161428548 426023175 /nfs/dbraw/zinc/02/31/75/426023175.db2.gz VZEITPNSKBKIQE-OAHLLOKOSA-N 1 0 300.406 2.686 20 70 DFIDRO CS[C@H](C)CC(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000161455023 426024070 /nfs/dbraw/zinc/02/40/70/426024070.db2.gz KOTCEJJUGWCLLF-GFCCVEGCSA-N 1 0 323.462 2.657 20 70 DFIDRO Cc1ccccc1[C@@H]1CN(C(=O)CC[NH2+]C(C)C)[C@H](C)CO1 ZINC000161468583 426025649 /nfs/dbraw/zinc/02/56/49/426025649.db2.gz GDVUQBFILBZOTB-WBVHZDCISA-N 1 0 304.434 2.672 20 70 DFIDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCCCO3)CC2)CC1 ZINC000161505816 426026108 /nfs/dbraw/zinc/02/61/08/426026108.db2.gz ULBYFXGCGPFZEF-JCYILVPMSA-N 1 0 308.466 2.715 20 70 DFIDRO CCOC(=O)[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)[C@H](C)CC ZINC000161504733 426026480 /nfs/dbraw/zinc/02/64/80/426026480.db2.gz XQFIFKHFZLTMOU-UKPHBRMFSA-N 1 0 320.433 2.561 20 70 DFIDRO COc1ccc(COCCC[NH2+][C@@H](C)c2cnccn2)cc1 ZINC000161077010 426007396 /nfs/dbraw/zinc/00/73/96/426007396.db2.gz KFVSABQPSNLVFT-AWEZNQCLSA-N 1 0 301.390 2.743 20 70 DFIDRO COc1ccc(COCCC[NH2+][C@@H](C)c2cnn(C)c2)cc1 ZINC000161078216 426007721 /nfs/dbraw/zinc/00/77/21/426007721.db2.gz BEWAEUYCTNLCNH-AWEZNQCLSA-N 1 0 303.406 2.686 20 70 DFIDRO CC(C)[NH+](CCS[C@H](C)c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000161079335 426008098 /nfs/dbraw/zinc/00/80/98/426008098.db2.gz MHJAFEAGDFQSHQ-LLVKDONJSA-N 1 0 324.454 2.768 20 70 DFIDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(F)n1 ZINC000161092276 426008570 /nfs/dbraw/zinc/00/85/70/426008570.db2.gz SWMHYJXYPUAMSU-CYBMUJFWSA-N 1 0 319.405 2.849 20 70 DFIDRO CCCCn1ncc(C(=O)NCC[NH+](C(C)C)C(C)C)c1C ZINC000161097445 426008628 /nfs/dbraw/zinc/00/86/28/426008628.db2.gz MPQNZCHCASEFFE-UHFFFAOYSA-N 1 0 308.470 2.840 20 70 DFIDRO Cc1cccc(C)c1NCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161203902 426012656 /nfs/dbraw/zinc/01/26/56/426012656.db2.gz HTKBIYLCBVDXQE-JKSUJKDBSA-N 1 0 303.450 2.560 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)COc1ccc(F)cc1F ZINC000161189391 426013056 /nfs/dbraw/zinc/01/30/56/426013056.db2.gz IRJONAHIUBNIJY-NSHDSACASA-N 1 0 314.376 2.613 20 70 DFIDRO Clc1ccc(OCC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161208789 426013426 /nfs/dbraw/zinc/01/34/26/426013426.db2.gz CIOGOAQUAKIHAY-UHFFFAOYSA-N 1 0 311.809 2.994 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 ZINC000161219025 426013908 /nfs/dbraw/zinc/01/39/08/426013908.db2.gz ALZDGCJSAQXVCQ-UHFFFAOYSA-N 1 0 319.449 2.837 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCCCc1ccc(OC)cc1 ZINC000161256116 426015049 /nfs/dbraw/zinc/01/50/49/426015049.db2.gz RBKGHFKYHUVEIO-INIZCTEOSA-N 1 0 304.434 2.618 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N(C)CC(C)(C)C[NH3+])c1 ZINC000161254647 426015194 /nfs/dbraw/zinc/01/51/94/426015194.db2.gz GITOTYMBEMUTFB-UHFFFAOYSA-N 1 0 313.239 2.814 20 70 DFIDRO CC[C@@](C)(O)C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000161238566 426015225 /nfs/dbraw/zinc/01/52/25/426015225.db2.gz HUDXCTDMKHBSFF-CYBMUJFWSA-N 1 0 305.344 2.769 20 70 DFIDRO CC(C)Oc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cn1 ZINC000161303765 426018574 /nfs/dbraw/zinc/01/85/74/426018574.db2.gz CUFWYOSJCMIJTI-UHFFFAOYSA-N 1 0 306.406 2.644 20 70 DFIDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000161321406 426018675 /nfs/dbraw/zinc/01/86/75/426018675.db2.gz WMLZCUCYSVRMHM-UXIGCNINSA-N 1 0 308.372 2.526 20 70 DFIDRO CCCc1noc(CN2CCN(C)C[C@@H]2c2ccccc2)n1 ZINC000161332303 426019750 /nfs/dbraw/zinc/01/97/50/426019750.db2.gz BAYPWSZWOZXEDN-OAHLLOKOSA-N 1 0 300.406 2.511 20 70 DFIDRO c1ccc(NC[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000161368484 426021409 /nfs/dbraw/zinc/02/14/09/426021409.db2.gz HGBMLAUFIIFLLM-KRWDZBQOSA-N 1 0 302.466 2.691 20 70 DFIDRO Cn1cncc1C[NH2+]CCc1ccc(Br)s1 ZINC000218139221 426566432 /nfs/dbraw/zinc/56/64/32/426566432.db2.gz YGVZPBLZGNHQPT-UHFFFAOYSA-N 1 0 300.225 2.576 20 70 DFIDRO COc1cccc(C[N@H+](C)[C@@H](CO)c2ccccc2)c1OC ZINC000216888859 426561856 /nfs/dbraw/zinc/56/18/56/426561856.db2.gz WNYATQHEJGAXHU-INIZCTEOSA-N 1 0 301.386 2.869 20 70 DFIDRO CC(C)[C@H](CCc1ccccc1)[NH2+]CC(=O)NCC(F)(F)F ZINC000160602696 275697903 /nfs/dbraw/zinc/69/79/03/275697903.db2.gz YOUXUCXFWPKYGD-AWEZNQCLSA-N 1 0 316.367 2.912 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000161257666 277276766 /nfs/dbraw/zinc/27/67/66/277276766.db2.gz PQQRYCPIRFQCFW-KBPBESRZSA-N 1 0 314.351 2.933 20 70 DFIDRO C[C@@H](C[NH2+][C@H]1CCCc2c1cnn2C)N1CCc2ccccc2C1 ZINC000159837260 278286491 /nfs/dbraw/zinc/28/64/91/278286491.db2.gz CJWCPCPQENKLDE-KXBFYZLASA-N 1 0 324.472 2.834 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1c3cc(F)ccc3C[C@@H]1C)CC2 ZINC000160582244 279144144 /nfs/dbraw/zinc/14/41/44/279144144.db2.gz TVXVYXCTIFXLDH-IXBGWNDUSA-N 1 0 300.381 2.564 20 70 DFIDRO CC[C@H]([NH2+]CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCOC1 ZINC000159497478 295377833 /nfs/dbraw/zinc/37/78/33/295377833.db2.gz GCBZEEWMVLCONY-KGLIPLIRSA-N 1 0 300.443 2.648 20 70 DFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000159610016 295378981 /nfs/dbraw/zinc/37/89/81/295378981.db2.gz DNCHNHNPWFIMKM-KDOFPFPSSA-N 1 0 309.413 2.834 20 70 DFIDRO COc1cccc([C@@H](CNC(=O)c2[nH]c(C)cc2C)[NH+](C)C)c1 ZINC000159650213 295379849 /nfs/dbraw/zinc/37/98/49/295379849.db2.gz YAKMFDIQYUSBSW-MRXNPFEDSA-N 1 0 315.417 2.673 20 70 DFIDRO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@H]1CCCSC1 ZINC000159651046 295379852 /nfs/dbraw/zinc/37/98/52/295379852.db2.gz MXNKMWILIMRYLI-HOCLYGCPSA-N 1 0 306.475 2.609 20 70 DFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc2c(c1)OCCO2 ZINC000159662687 295379898 /nfs/dbraw/zinc/37/98/98/295379898.db2.gz LPLIDPZWIZWUNH-ZFWWWQNUSA-N 1 0 316.401 2.661 20 70 DFIDRO CCCCn1ncc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1C ZINC000159770260 295381870 /nfs/dbraw/zinc/38/18/70/295381870.db2.gz MFBOQXISBQNNNJ-OAHLLOKOSA-N 1 0 321.469 2.940 20 70 DFIDRO COC(=O)c1coc(C[N@H+](CCc2nccs2)C(C)C)c1 ZINC000159831232 295382750 /nfs/dbraw/zinc/38/27/50/295382750.db2.gz SGDAZEVVWJKFOG-UHFFFAOYSA-N 1 0 308.403 2.976 20 70 DFIDRO C[C@@H](NC(=O)N1CCc2cccc(F)c2C1)C(C)(C)C[NH+](C)C ZINC000159867142 295382971 /nfs/dbraw/zinc/38/29/71/295382971.db2.gz LGRVVENBCBKWLW-CYBMUJFWSA-N 1 0 321.440 2.870 20 70 DFIDRO CCCC(=O)Nc1cccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000159873307 295383190 /nfs/dbraw/zinc/38/31/90/295383190.db2.gz WMFITVLNSJTKQW-ZBFHGGJFSA-N 1 0 303.450 2.998 20 70 DFIDRO CNC(=O)c1ccc(C[N@H+](CCc2nccs2)C(C)C)cc1 ZINC000159889184 295383670 /nfs/dbraw/zinc/38/36/70/295383670.db2.gz XBQFHMWQPRQWPC-UHFFFAOYSA-N 1 0 317.458 2.956 20 70 DFIDRO C[NH+](C)CCN(C(=O)NCc1cccc(F)c1)C1CCCC1 ZINC000159945885 295384003 /nfs/dbraw/zinc/38/40/03/295384003.db2.gz LQSFYLIAUWJXDO-UHFFFAOYSA-N 1 0 307.413 2.842 20 70 DFIDRO CCCCn1ncc(NC(=O)NCCC2CC[NH+](C)CC2)c1C ZINC000159967876 295384749 /nfs/dbraw/zinc/38/47/49/295384749.db2.gz VCCPDOKZYNNDQB-UHFFFAOYSA-N 1 0 321.469 2.845 20 70 DFIDRO CC(C)[N@H+](C[C@@H](C)O)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000160070161 295386033 /nfs/dbraw/zinc/38/60/33/295386033.db2.gz ATPLLCDMBJZUAD-IUODEOHRSA-N 1 0 319.367 2.700 20 70 DFIDRO Cc1cccc([C@@H](C)NC(=O)C[N@H+](C)[C@@H]2CCSC2)c1C ZINC000160094305 295386633 /nfs/dbraw/zinc/38/66/33/295386633.db2.gz INPRQCNYJSBXHE-HUUCEWRRSA-N 1 0 306.475 2.918 20 70 DFIDRO COc1ccc(C[C@@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000160250920 295388751 /nfs/dbraw/zinc/38/87/51/295388751.db2.gz YQJWAQGZTLIYAU-NVXWUHKLSA-N 1 0 320.477 2.966 20 70 DFIDRO COc1ccc(C[C@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000160250674 295388773 /nfs/dbraw/zinc/38/87/73/295388773.db2.gz YQJWAQGZTLIYAU-DOTOQJQBSA-N 1 0 320.477 2.966 20 70 DFIDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(F)cc3cccnc32)C1 ZINC000160496971 295392018 /nfs/dbraw/zinc/39/20/18/295392018.db2.gz AFKRDZWYHWIOQX-CYBMUJFWSA-N 1 0 315.392 2.836 20 70 DFIDRO COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160485316 295392106 /nfs/dbraw/zinc/39/21/06/295392106.db2.gz FFJNONCOWVHFRR-NXHRZFHOSA-N 1 0 309.425 2.914 20 70 DFIDRO CC[C@@H](C)OCC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000160491302 295392234 /nfs/dbraw/zinc/39/22/34/295392234.db2.gz SWSRZHPXUWWUFW-MRXNPFEDSA-N 1 0 310.482 2.916 20 70 DFIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc2c(s1)CCCC2 ZINC000160557598 295393027 /nfs/dbraw/zinc/39/30/27/295393027.db2.gz CAJKWBAOPGOMDL-SECBINFHSA-N 1 0 320.380 2.956 20 70 DFIDRO CS[C@H](C)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000160896690 295396229 /nfs/dbraw/zinc/39/62/29/295396229.db2.gz ZTVCQUWUQQUXSI-ZIAGYGMSSA-N 1 0 301.500 2.548 20 70 DFIDRO CC[C@H](C)[C@H](NCc1nc(C)ccc1O)C(=O)OC(C)(C)C ZINC000160947732 295396839 /nfs/dbraw/zinc/39/68/39/295396839.db2.gz FZVPFGAERVQKBA-NHYWBVRUSA-N 1 0 308.422 2.942 20 70 DFIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161039050 295397631 /nfs/dbraw/zinc/39/76/31/295397631.db2.gz RAJKUJKDTOXSCG-DLBZAZTESA-N 1 0 320.433 2.696 20 70 DFIDRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000161251786 295400605 /nfs/dbraw/zinc/40/06/05/295400605.db2.gz NTGIZQXHUZFYLC-RRFJBIMHSA-N 1 0 314.470 2.940 20 70 DFIDRO CN(C)c1cc[n+]([C@@H]2CCCN(c3ccccc3F)C2=O)cc1 ZINC000160080850 332647377 /nfs/dbraw/zinc/64/73/77/332647377.db2.gz RBDLYAHVZZXCCF-QGZVFWFLSA-N 1 0 314.384 2.547 20 70 DFIDRO C=CCSCCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000161254881 337575360 /nfs/dbraw/zinc/57/53/60/337575360.db2.gz KFIGSECSCLOWFA-UHFFFAOYSA-N 1 0 313.511 2.669 20 70 DFIDRO CC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160470658 519415054 /nfs/dbraw/zinc/41/50/54/519415054.db2.gz CCSMUXOIOKCCRO-YIONKMFJSA-N 1 0 310.438 2.828 20 70 DFIDRO CCC[N@@H+]1CCCN(C(=O)CSc2ccc(OC)cc2)CC1 ZINC000160386155 519848715 /nfs/dbraw/zinc/84/87/15/519848715.db2.gz FOHXZTZAFLBHLN-UHFFFAOYSA-N 1 0 322.474 2.732 20 70 DFIDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000160315123 521499536 /nfs/dbraw/zinc/49/95/36/521499536.db2.gz XXHCYRLBLWXVJH-CQSZACIVSA-N 1 0 322.449 2.573 20 70 DFIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(OC)nc1 ZINC000160540175 521659801 /nfs/dbraw/zinc/65/98/01/521659801.db2.gz ZBQQWYBCIWIKBE-UHFFFAOYSA-N 1 0 308.426 2.676 20 70 DFIDRO CC[C@@H](C(=O)N1CCO[C@H](c2ccc(C)cc2C)C1)[NH+](C)C ZINC000161385263 521820471 /nfs/dbraw/zinc/82/04/71/521820471.db2.gz NOXCEBVPYMWVIP-IRXDYDNUSA-N 1 0 304.434 2.544 20 70 DFIDRO COc1cc(O)c(C[N@H+](C)CCC2CCOCC2)cc1OC ZINC000160392984 522768397 /nfs/dbraw/zinc/76/83/97/522768397.db2.gz QXOIAIOKVQTOLT-UHFFFAOYSA-N 1 0 309.406 2.658 20 70 DFIDRO COc1cc(O)c(C[N@H+](C)CCc2nccs2)cc1OC ZINC000160481264 522770700 /nfs/dbraw/zinc/77/07/00/522770700.db2.gz DCVADWLLJCQQMN-UHFFFAOYSA-N 1 0 308.403 2.540 20 70 DFIDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](OCC(C)C)C2)cc1OC ZINC000160403564 522776578 /nfs/dbraw/zinc/77/65/78/522776578.db2.gz YBPXVJRJNRRVFQ-CQSZACIVSA-N 1 0 309.406 2.656 20 70 DFIDRO COCC(C)(C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161506428 522796385 /nfs/dbraw/zinc/79/63/85/522796385.db2.gz BUSBMABRSMFCHJ-UHFFFAOYSA-N 1 0 310.482 2.818 20 70 DFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000161393883 523917644 /nfs/dbraw/zinc/91/76/44/523917644.db2.gz LUZJDWYRPVPAKW-AWEZNQCLSA-N 1 0 317.433 2.562 20 70 DFIDRO Cc1cccc(C)c1CC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000160591518 524260701 /nfs/dbraw/zinc/26/07/01/524260701.db2.gz OINVWARGDQUMCS-GOSISDBHSA-N 1 0 307.397 2.534 20 70 DFIDRO C[C@H]1CCO[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000160376765 524318277 /nfs/dbraw/zinc/31/82/77/524318277.db2.gz LLBHBHLQNMJRHD-YJBOKZPZSA-N 1 0 316.445 2.534 20 70 DFIDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2)n1 ZINC000160333117 524895194 /nfs/dbraw/zinc/89/51/94/524895194.db2.gz WSLRKVZVOSBSGV-QFBILLFUSA-N 1 0 312.413 2.967 20 70 DFIDRO Cc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)cc1[N+](=O)[O-] ZINC000159683159 526165806 /nfs/dbraw/zinc/16/58/06/526165806.db2.gz MZRAJLWLAQYOHA-UHFFFAOYSA-N 1 0 319.405 2.945 20 70 DFIDRO Cc1ncc([C@@H](C)[NH2+]C[C@H]2CC(=O)Nc3ccccc32)c(C)n1 ZINC000160593311 527306695 /nfs/dbraw/zinc/30/66/95/527306695.db2.gz WYCYNYCOMOPJOB-BXUZGUMPSA-N 1 0 310.401 2.870 20 70 DFIDRO CCC(CC)CS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160108306 282169111 /nfs/dbraw/zinc/16/91/11/282169111.db2.gz PJCGYBCPVBWMKV-INIZCTEOSA-N 1 0 316.511 2.703 20 70 DFIDRO Cc1cc(F)ccc1CCNC(=O)N(CC[NH+](C)C)C(C)C ZINC000159543824 186125903 /nfs/dbraw/zinc/12/59/03/186125903.db2.gz FMSOKCWGRPJJID-UHFFFAOYSA-N 1 0 309.429 2.658 20 70 DFIDRO c1cnn(-c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)c1 ZINC000159551851 186127007 /nfs/dbraw/zinc/12/70/07/186127007.db2.gz LXTDFYHJAVIOOX-KSZLIROESA-N 1 0 309.413 2.920 20 70 DFIDRO C[C@H](O)C(C)(C)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000159571741 186127599 /nfs/dbraw/zinc/12/75/99/186127599.db2.gz KESXULFYMAQIJG-VIFPVBQESA-N 1 0 314.223 2.633 20 70 DFIDRO COC[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159592455 186129645 /nfs/dbraw/zinc/12/96/45/186129645.db2.gz PEIHEIGOPYKJGT-CRAIPNDOSA-N 1 0 312.413 2.861 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)NCCCc1ccc(C(C)C)cc1 ZINC000159609297 186130660 /nfs/dbraw/zinc/13/06/60/186130660.db2.gz TWZMUCJYUNMFIC-INIZCTEOSA-N 1 0 308.491 2.939 20 70 DFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000159617647 186131489 /nfs/dbraw/zinc/13/14/89/186131489.db2.gz ZRGCKJLADNVAES-UHFFFAOYSA-N 1 0 318.417 2.500 20 70 DFIDRO [NH3+]C1(CNC(=O)CSc2ccc(F)c(F)c2)CCCCC1 ZINC000159666680 186134264 /nfs/dbraw/zinc/13/42/64/186134264.db2.gz OZPHHGNVOGICOB-UHFFFAOYSA-N 1 0 314.401 2.835 20 70 DFIDRO CCC(CC)(C[NH2+]CC(=O)Nc1cc(C)ccc1C)C(=O)OC ZINC000159671708 186134578 /nfs/dbraw/zinc/13/45/78/186134578.db2.gz HRPPXQPQGUXSJW-UHFFFAOYSA-N 1 0 320.433 2.811 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(Cl)s2)CC1 ZINC000159692064 186135851 /nfs/dbraw/zinc/13/58/51/186135851.db2.gz CTVGHPDHHALRIE-UHFFFAOYSA-N 1 0 315.870 2.681 20 70 DFIDRO Cc1ccc(C#N)c(N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000161021231 283380362 /nfs/dbraw/zinc/38/03/62/283380362.db2.gz FCVGBIBOLOTNAZ-HNNXBMFYSA-N 1 0 307.401 2.904 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000161327408 283594375 /nfs/dbraw/zinc/59/43/75/283594375.db2.gz KWQCZBRXPQAPOP-OAHLLOKOSA-N 1 0 304.434 2.573 20 70 DFIDRO Cc1ccc([C@@H](C)CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000159447728 398965086 /nfs/dbraw/zinc/96/50/86/398965086.db2.gz BFSLANRIQJPRIL-HOTGVXAUSA-N 1 0 303.450 2.740 20 70 DFIDRO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000159611021 398965299 /nfs/dbraw/zinc/96/52/99/398965299.db2.gz CPXILRXXURECMG-GXTWGEPZSA-N 1 0 308.447 2.898 20 70 DFIDRO CS[C@H](C)CNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000160225038 398969142 /nfs/dbraw/zinc/96/91/42/398969142.db2.gz VTQXNPFLGZXZNI-CQSZACIVSA-N 1 0 323.506 2.948 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N(C)C2CC[NH2+]CC2)c1 ZINC000161243579 398975649 /nfs/dbraw/zinc/97/56/49/398975649.db2.gz TZAGQRLFNZZNHP-UHFFFAOYSA-N 1 0 311.223 2.582 20 70 DFIDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCc2ccc(F)cc2F)C1 ZINC000161500868 197499954 /nfs/dbraw/zinc/49/99/54/197499954.db2.gz DOKGVJJLUDGFPC-CABCVRRESA-N 1 0 310.388 2.886 20 70 DFIDRO C[C@]1(C(=O)Nc2cccc(Oc3cnccn3)c2)CCC[NH2+]C1 ZINC000161365924 197489291 /nfs/dbraw/zinc/48/92/91/197489291.db2.gz IGFQFOSPDBFSQZ-KRWDZBQOSA-N 1 0 312.373 2.597 20 70 DFIDRO CO[C@@H]1CCN(Cc2cc(Cl)ccc2Cl)[C@H](C[NH3+])C1 ZINC000161190967 197472824 /nfs/dbraw/zinc/47/28/24/197472824.db2.gz GZPPQPWNRYLFCH-QWHCGFSZSA-N 1 0 303.233 2.932 20 70 DFIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(N2CCOC2=O)cc1 ZINC000160483599 197415375 /nfs/dbraw/zinc/41/53/75/197415375.db2.gz MFVJKOHSZUEROY-UNEWFSDZSA-N 1 0 318.417 2.845 20 70 DFIDRO CC(C)([NH3+])CNC(=O)c1cccc(Br)c1Cl ZINC000160411625 197408105 /nfs/dbraw/zinc/40/81/05/197408105.db2.gz UYIHFFWGYILPSA-UHFFFAOYSA-N 1 0 305.603 2.570 20 70 DFIDRO CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)s1 ZINC000160315915 197399845 /nfs/dbraw/zinc/39/98/45/197399845.db2.gz HPMBPQYNWUXGSB-JOYOIKCWSA-N 1 0 305.451 2.579 20 70 DFIDRO Cc1cncc(/C=C/C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000160258910 197396069 /nfs/dbraw/zinc/39/60/69/197396069.db2.gz FWDCLZOMDFAFIH-BBVFFXRHSA-N 1 0 309.413 2.822 20 70 DFIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000160219543 197392933 /nfs/dbraw/zinc/39/29/33/197392933.db2.gz MVXXHLLHLGCHNJ-NEPJUHHUSA-N 1 0 308.403 2.600 20 70 DFIDRO CN(Cc1nc(-c2cccc(Cl)c2)no1)[C@H](C[NH3+])C1CC1 ZINC000160165625 197390837 /nfs/dbraw/zinc/39/08/37/197390837.db2.gz ROWBOUFTGDIJTI-CYBMUJFWSA-N 1 0 306.797 2.559 20 70 DFIDRO CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160231818 197394322 /nfs/dbraw/zinc/39/43/22/197394322.db2.gz QGMZAIXAXWHHNU-INIZCTEOSA-N 1 0 323.412 2.837 20 70 DFIDRO COc1cc(C)cc(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000160221853 197394013 /nfs/dbraw/zinc/39/40/13/197394013.db2.gz CZMARBDVPDLWTF-WMLDXEAASA-N 1 0 319.449 2.532 20 70 DFIDRO CC(C)Cc1ccc(CCC(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000160103839 197386278 /nfs/dbraw/zinc/38/62/78/197386278.db2.gz BSRADEAOEJEDCS-GOSISDBHSA-N 1 0 302.462 2.886 20 70 DFIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000160093484 197384949 /nfs/dbraw/zinc/38/49/49/197384949.db2.gz ABDGIQAAXHTWLL-CQSZACIVSA-N 1 0 307.438 2.605 20 70 DFIDRO Cc1cc2ncc([C@@H](C)[NH2+][C@@H]3CCOC(C)(C)C3)c(C)n2n1 ZINC000159945743 197375934 /nfs/dbraw/zinc/37/59/34/197375934.db2.gz KPMQXWLCLIOKDA-TZMCWYRMSA-N 1 0 302.422 2.954 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)c2cccc(F)c2)CC1 ZINC000159879707 197370605 /nfs/dbraw/zinc/37/06/05/197370605.db2.gz QJLSLQSKGNCGAU-UHFFFAOYSA-N 1 0 321.440 2.841 20 70 DFIDRO COc1cccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1F ZINC000159843745 197367914 /nfs/dbraw/zinc/36/79/14/197367914.db2.gz WGKDOFSDAJLKRA-UHFFFAOYSA-N 1 0 308.397 2.873 20 70 DFIDRO CC[C@H](C)OCC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000159818183 197366460 /nfs/dbraw/zinc/36/64/60/197366460.db2.gz UEIPZJWHNHZBNL-CVEARBPZSA-N 1 0 306.450 2.828 20 70 DFIDRO COc1ccc(OC)c(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159488740 197357418 /nfs/dbraw/zinc/35/74/18/197357418.db2.gz VIVGVJRZWRQZIF-XIRDDKMYSA-N 1 0 303.402 2.751 20 70 DFIDRO O=C(c1cccc2nc[nH]c21)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000159709394 197361840 /nfs/dbraw/zinc/36/18/40/197361840.db2.gz JQNDVTLHOCGEGX-AWEZNQCLSA-N 1 0 312.417 2.511 20 70 DFIDRO CC[C@H]([NH2+]CCCN1CCCC1=O)c1ccc2c(c1)OCCO2 ZINC000159499590 197358785 /nfs/dbraw/zinc/35/87/85/197358785.db2.gz DWHFNSRYBUUYFU-HNNXBMFYSA-N 1 0 318.417 2.511 20 70 DFIDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000159455550 197355015 /nfs/dbraw/zinc/35/50/15/197355015.db2.gz MXMRQPHCBDKIHC-SJKOYZFVSA-N 1 0 324.852 2.922 20 70 DFIDRO CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000159412155 197351252 /nfs/dbraw/zinc/35/12/52/197351252.db2.gz YUHXWJSSPCGCIT-KRWDZBQOSA-N 1 0 320.433 2.804 20 70 DFIDRO CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161307944 197483318 /nfs/dbraw/zinc/48/33/18/197483318.db2.gz YCRZRWSQFOLKDC-VUWFPPPMSA-N 1 0 320.383 2.810 20 70 DFIDRO Cc1cc(O[C@@H](C)C(=O)N2CCC[C@@H]2C[NH3+])ccc1C(C)C ZINC000160376948 291975442 /nfs/dbraw/zinc/97/54/42/291975442.db2.gz OQPNQNNZOYIJMH-LSDHHAIUSA-N 1 0 304.434 2.835 20 70 DFIDRO Cc1nccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1Cl ZINC000159534604 542717960 /nfs/dbraw/zinc/71/79/60/542717960.db2.gz MMISQJGAXVOXNK-GXTWGEPZSA-N 1 0 322.840 2.991 20 70 DFIDRO COc1ccc([C@H](C)[C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)cc1 ZINC000159901340 542719984 /nfs/dbraw/zinc/71/99/84/542719984.db2.gz ZVFGRIMOKHXBLY-OLZOCXBDSA-N 1 0 313.463 2.600 20 70 DFIDRO [NH3+]Cc1ccc(CNc2nnc(C(F)(F)F)s2)c(F)c1 ZINC000160296699 542721485 /nfs/dbraw/zinc/72/14/85/542721485.db2.gz NZUXLBZRXHEMRM-UHFFFAOYSA-N 1 0 306.288 2.767 20 70 DFIDRO Cc1ccccc1[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)[C@H](C)CO1 ZINC000160410435 542722607 /nfs/dbraw/zinc/72/26/07/542722607.db2.gz YSULHJOOQZFDJM-CXAGYDPISA-N 1 0 314.385 2.649 20 70 DFIDRO Cc1noc(C)c1[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160441499 542723218 /nfs/dbraw/zinc/72/32/18/542723218.db2.gz SCFXSCDGTIOHTR-SWLSCSKDSA-N 1 0 307.438 2.632 20 70 DFIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)c2ccncc2)C1 ZINC000161167991 542727659 /nfs/dbraw/zinc/72/76/59/542727659.db2.gz TXSZQSCYAYOYHP-CVEARBPZSA-N 1 0 303.450 2.669 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc3ccc(Cl)cc3n2)C1 ZINC000161194625 542727995 /nfs/dbraw/zinc/72/79/95/542727995.db2.gz XJKPJXYVVXNIAT-STQMWFEESA-N 1 0 303.793 2.888 20 70 DFIDRO CCOc1ccccc1CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161468607 542729927 /nfs/dbraw/zinc/72/99/27/542729927.db2.gz NMRZQZNHPZMOLR-UHFFFAOYSA-N 1 0 304.434 2.665 20 70 DFIDRO CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160785833 542724104 /nfs/dbraw/zinc/72/41/04/542724104.db2.gz LOZDDCBJSCFODE-SCRDCRAPSA-N 1 0 310.825 2.884 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(Oc3ccccc3)ccn2)C1 ZINC000160983783 542726126 /nfs/dbraw/zinc/72/61/26/542726126.db2.gz LQKOVLFJKUBQKV-KGLIPLIRSA-N 1 0 311.385 2.874 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000161017057 542726153 /nfs/dbraw/zinc/72/61/53/542726153.db2.gz YVDZVGFRJRFLES-NWDGAFQWSA-N 1 0 317.216 2.758 20 70 DFIDRO CCN1CCO[C@H](C[NH2+]Cc2c(Cl)oc3ccccc32)C1 ZINC000161016845 542726172 /nfs/dbraw/zinc/72/61/72/542726172.db2.gz SUBMEDFAVSJMPR-GFCCVEGCSA-N 1 0 308.809 2.897 20 70 DFIDRO Cc1cc(OC(F)F)c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000161038144 542726189 /nfs/dbraw/zinc/72/61/89/542726189.db2.gz YVTTZIDZHBXELQ-BDAKNGLRSA-N 1 0 304.362 2.658 20 70 DFIDRO COc1ccc(S[C@H](C)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161091213 542726832 /nfs/dbraw/zinc/72/68/32/542726832.db2.gz NHLFSIRDDLLOFW-AGIUHOORSA-N 1 0 308.447 2.562 20 70 DFIDRO O=C(Nc1ccccc1)NC1CC[NH+](CCOCC2CC2)CC1 ZINC000159566326 145220148 /nfs/dbraw/zinc/22/01/48/145220148.db2.gz GDFSDQOPJMTPQY-UHFFFAOYSA-N 1 0 317.433 2.699 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000160583643 267539466 /nfs/dbraw/zinc/53/94/66/267539466.db2.gz POLIZFGRSNLVTD-HNNXBMFYSA-N 1 0 302.418 2.832 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)C1 ZINC000160611241 267539583 /nfs/dbraw/zinc/53/95/83/267539583.db2.gz BUKZCNWULWARQO-ZDUSSCGKSA-N 1 0 316.376 2.839 20 70 DFIDRO COc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc2c1OCCO2 ZINC000160621045 267539730 /nfs/dbraw/zinc/53/97/30/267539730.db2.gz SQUOCFABFJQHHM-CYBMUJFWSA-N 1 0 307.390 2.514 20 70 DFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1csc(-c2ccccc2F)n1 ZINC000160353768 425980323 /nfs/dbraw/zinc/98/03/23/425980323.db2.gz YZDLIAWHRBDIQL-SNVBAGLBSA-N 1 0 305.378 2.513 20 70 DFIDRO CCCCc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000160383049 425980531 /nfs/dbraw/zinc/98/05/31/425980531.db2.gz PAMDAVHJCWEPKL-QGZVFWFLSA-N 1 0 316.445 2.942 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)CCCOc1ccc(C(C)=O)cc1 ZINC000160429305 425982577 /nfs/dbraw/zinc/98/25/77/425982577.db2.gz DXMAGHXCEYVGJV-UHFFFAOYSA-N 1 0 320.433 2.682 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)Oc1ccc(SC)cc1 ZINC000160443597 425983241 /nfs/dbraw/zinc/98/32/41/425983241.db2.gz ZGXXXPRCSFYSQK-LBPRGKRZSA-N 1 0 310.463 2.810 20 70 DFIDRO CCCC[C@@H](COC)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160474950 425983682 /nfs/dbraw/zinc/98/36/82/425983682.db2.gz GTBBZGBLOMUFTJ-IBGZPJMESA-N 1 0 320.477 2.814 20 70 DFIDRO Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000160479376 425984347 /nfs/dbraw/zinc/98/43/47/425984347.db2.gz BJZONSXJNRSRDZ-CQSZACIVSA-N 1 0 319.405 2.753 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1cccc(Oc2cnccn2)c1 ZINC000160481986 425984539 /nfs/dbraw/zinc/98/45/39/425984539.db2.gz IIRLTNMGFXKWPN-UHFFFAOYSA-N 1 0 314.389 2.516 20 70 DFIDRO CSc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1F ZINC000160524192 425985257 /nfs/dbraw/zinc/98/52/57/425985257.db2.gz NILVHFSEPFPYGQ-ZDUSSCGKSA-N 1 0 308.422 2.858 20 70 DFIDRO Cn1nccc1C1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000160518387 425985313 /nfs/dbraw/zinc/98/53/13/425985313.db2.gz XRMUCABHAOCCPA-UHFFFAOYSA-N 1 0 321.428 2.985 20 70 DFIDRO CC1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000160550911 425986183 /nfs/dbraw/zinc/98/61/83/425986183.db2.gz YXNDRQZHAUQKBK-HUUCEWRRSA-N 1 0 322.399 2.916 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1csc(Br)c1 ZINC000160533932 425986218 /nfs/dbraw/zinc/98/62/18/425986218.db2.gz GODSMIXDAAWGQA-UHFFFAOYSA-N 1 0 305.241 2.758 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000160536814 425986316 /nfs/dbraw/zinc/98/63/16/425986316.db2.gz QBOOUERZJIFRLJ-CQSZACIVSA-N 1 0 302.418 2.832 20 70 DFIDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000160541925 425986625 /nfs/dbraw/zinc/98/66/25/425986625.db2.gz LEPGUQHJADUNEC-BEFAXECRSA-N 1 0 318.461 2.805 20 70 DFIDRO C=CCOc1ccc(C(=O)NCC([NH3+])(CC)CC)cc1OC ZINC000160529937 425986737 /nfs/dbraw/zinc/98/67/37/425986737.db2.gz FMCGRBCVBMIHIF-UHFFFAOYSA-N 1 0 306.406 2.507 20 70 DFIDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000160561202 425987535 /nfs/dbraw/zinc/98/75/35/425987535.db2.gz SUAOGZCAUNYWQQ-ZDUSSCGKSA-N 1 0 307.390 2.950 20 70 DFIDRO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160641132 425991554 /nfs/dbraw/zinc/99/15/54/425991554.db2.gz YDCCHGLCAXXKJQ-RYRKJORJSA-N 1 0 316.445 2.534 20 70 DFIDRO Cc1ccc(C#N)c(NC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000160675953 425992036 /nfs/dbraw/zinc/99/20/36/425992036.db2.gz BPIKKJRUKAELHV-UHFFFAOYSA-N 1 0 307.401 2.733 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)C1 ZINC000160709722 425993240 /nfs/dbraw/zinc/99/32/40/425993240.db2.gz VDDHFFDMWIRVBX-NSHDSACASA-N 1 0 317.216 2.583 20 70 DFIDRO Cc1c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cnn1C ZINC000160712999 425993400 /nfs/dbraw/zinc/99/34/00/425993400.db2.gz KCENPWPELNRMRE-GOSISDBHSA-N 1 0 313.401 2.741 20 70 DFIDRO O=C(CSCc1cccc(Cl)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160713841 425993708 /nfs/dbraw/zinc/99/37/08/425993708.db2.gz PKPFRKMZPCWFPO-GASCZTMLSA-N 1 0 324.877 2.926 20 70 DFIDRO O[C@@]12CCCC[C@@H]1C[N@H+](CCOCCOc1ccccc1)CC2 ZINC000160748431 425994012 /nfs/dbraw/zinc/99/40/12/425994012.db2.gz ZWWYTRJAVPYPFW-IEBWSBKVSA-N 1 0 319.445 2.709 20 70 DFIDRO Cc1nc(Cl)ccc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000160753558 425994722 /nfs/dbraw/zinc/99/47/22/425994722.db2.gz CHCBSYNEIYXVEY-NWDGAFQWSA-N 1 0 309.841 2.894 20 70 DFIDRO CCc1ccc([C@@H](CO)[NH2+]Cc2cnc3c(c2)c(C)nn3C)cc1 ZINC000160767826 425995668 /nfs/dbraw/zinc/99/56/68/425995668.db2.gz JPVYVSKIMKSESK-GOSISDBHSA-N 1 0 324.428 2.662 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)C1 ZINC000160795089 425996484 /nfs/dbraw/zinc/99/64/84/425996484.db2.gz CEKSBOXBQCYRTJ-UWVGGRQHSA-N 1 0 317.216 2.581 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)C2(c3ccccc3C)CC2)CC1 ZINC000161010502 426006037 /nfs/dbraw/zinc/00/60/37/426006037.db2.gz LEWXCJYUYRMTRY-UHFFFAOYSA-N 1 0 300.446 2.875 20 70 DFIDRO CC(C)[C@@H]([NH3+])C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000160862428 425999145 /nfs/dbraw/zinc/99/91/45/425999145.db2.gz ULRGXOJFEKVAIB-SPLOXXLWSA-N 1 0 310.463 2.656 20 70 DFIDRO CC[N@@H+]1CC[C@H](N(C)Cc2noc(-c3ccsc3)n2)[C@H](C)C1 ZINC000160902064 426000301 /nfs/dbraw/zinc/00/03/01/426000301.db2.gz RCBOGSJGMHOOOC-OCCSQVGLSA-N 1 0 320.462 2.960 20 70 DFIDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000160963436 426002934 /nfs/dbraw/zinc/00/29/34/426002934.db2.gz OUFBVZRCSSQTTC-ZDUSSCGKSA-N 1 0 300.337 2.768 20 70 DFIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)[C@@H]3CCOC3)CC2)cc1 ZINC000160977413 426003537 /nfs/dbraw/zinc/00/35/37/426003537.db2.gz QKHFDCIQPDPYAY-DOTOQJQBSA-N 1 0 316.445 2.614 20 70 DFIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)CSC(C)(C)C)cc1 ZINC000160984492 426004247 /nfs/dbraw/zinc/00/42/47/426004247.db2.gz ZLNZXSLXQUWQIO-CYBMUJFWSA-N 1 0 324.490 2.821 20 70 DFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(OC(F)F)c(F)c1 ZINC000159525148 425961504 /nfs/dbraw/zinc/96/15/04/425961504.db2.gz UMLCRYDNYLJFCB-KOLCDFICSA-N 1 0 316.323 2.513 20 70 DFIDRO COc1ccc2cc(C[N@@H+]3C[C@@H](C(N)=O)CC[C@H]3C)ccc2c1 ZINC000159534466 425962050 /nfs/dbraw/zinc/96/20/50/425962050.db2.gz JVCKJJCVJXXPTL-DYVFJYSZSA-N 1 0 312.413 2.934 20 70 DFIDRO Cc1c(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cnn1C ZINC000159580574 425963218 /nfs/dbraw/zinc/96/32/18/425963218.db2.gz SAXVPQGGKZRRGB-INIZCTEOSA-N 1 0 302.422 2.638 20 70 DFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000159569491 425963620 /nfs/dbraw/zinc/96/36/20/425963620.db2.gz RXMRARLKLAALFI-GJZGRUSLSA-N 1 0 312.413 2.993 20 70 DFIDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000159646645 425965558 /nfs/dbraw/zinc/96/55/58/425965558.db2.gz CODFUMHDRARXQB-XYPHTWIQSA-N 1 0 304.409 2.939 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)c2ccccc2)CC1 ZINC000159647364 425965589 /nfs/dbraw/zinc/96/55/89/425965589.db2.gz JHEGDTNMXHCPFP-UHFFFAOYSA-N 1 0 303.450 2.701 20 70 DFIDRO COc1cccc([C@@H](C)C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159759127 425966087 /nfs/dbraw/zinc/96/60/87/425966087.db2.gz QNYFVSGPEJCTAZ-CQSZACIVSA-N 1 0 316.445 2.789 20 70 DFIDRO [NH3+]C1(CNC(=O)c2c[nH]nc2-c2ccc(F)cc2)CCCCC1 ZINC000159744663 425966404 /nfs/dbraw/zinc/96/64/04/425966404.db2.gz WTPUTPHONWRJAG-UHFFFAOYSA-N 1 0 316.380 2.607 20 70 DFIDRO O=C(NCC[NH2+]C1CCCCCC1)c1cc(-c2ccco2)on1 ZINC000159713479 425966834 /nfs/dbraw/zinc/96/68/34/425966834.db2.gz OYAHSNODYPQFSS-UHFFFAOYSA-N 1 0 317.389 2.977 20 70 DFIDRO Cc1ccc(Br)c(C(=O)NCC[NH2+]C(C)(C)C)c1 ZINC000159806461 425967955 /nfs/dbraw/zinc/96/79/55/425967955.db2.gz STZGUMNBANPUOT-UHFFFAOYSA-N 1 0 313.239 2.875 20 70 DFIDRO CC(C)(C)C(=O)N1CCC(C[N@H+](CCCCO)C2CC2)CC1 ZINC000159797608 425968334 /nfs/dbraw/zinc/96/83/34/425968334.db2.gz BAEZWNDJAXUREU-UHFFFAOYSA-N 1 0 310.482 2.508 20 70 DFIDRO O=C(CCc1nc2ccccc2s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159859346 425969054 /nfs/dbraw/zinc/96/90/54/425969054.db2.gz ZTNYYPZMUPLGOG-BETUJISGSA-N 1 0 315.442 2.582 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000159851458 425969520 /nfs/dbraw/zinc/96/95/20/425969520.db2.gz GIWFZKJRSMVHDX-WMLDXEAASA-N 1 0 301.434 2.657 20 70 DFIDRO O=C(Cc1ccc(Cl)cc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159889097 425969943 /nfs/dbraw/zinc/96/99/43/425969943.db2.gz GYOAJGVACYNJQI-BETUJISGSA-N 1 0 313.228 2.889 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](c2ncc(C)s2)C2CC2)CC1 ZINC000159911530 425970506 /nfs/dbraw/zinc/97/05/06/425970506.db2.gz DOWVDXZCINPCLO-CQSZACIVSA-N 1 0 322.478 2.640 20 70 DFIDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cnc3c(c2)ncn3C)c1 ZINC000161003556 426005299 /nfs/dbraw/zinc/00/52/99/426005299.db2.gz KAWCPGRZALELRM-UHFFFAOYSA-N 1 0 323.400 2.591 20 70 DFIDRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC(C)(C)[NH3+] ZINC000159955638 425972016 /nfs/dbraw/zinc/97/20/16/425972016.db2.gz KULBXQSJGTYEGO-MRVPVSSYSA-N 1 0 305.205 2.614 20 70 DFIDRO CCC(C)(C)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160008077 425972448 /nfs/dbraw/zinc/97/24/48/425972448.db2.gz XYAXMFPKRRMYBE-HOCLYGCPSA-N 1 0 303.450 2.995 20 70 DFIDRO Cc1cc(C)c(NC(=O)CN(C)[C@H](C[NH3+])C2CC2)c(Cl)c1 ZINC000160012080 425972845 /nfs/dbraw/zinc/97/28/45/425972845.db2.gz VNPOTFHERAKXAG-CQSZACIVSA-N 1 0 309.841 2.564 20 70 DFIDRO CC(C)([NH3+])CNC(=O)CCOc1cccc(Cl)c1Cl ZINC000160088312 425973724 /nfs/dbraw/zinc/97/37/24/425973724.db2.gz ZIRSOQOLAMKESG-UHFFFAOYSA-N 1 0 305.205 2.616 20 70 DFIDRO Cn1ccnc1CC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160065422 425974746 /nfs/dbraw/zinc/97/47/46/425974746.db2.gz FTLWUVPLPBRMJM-UHFFFAOYSA-N 1 0 309.417 2.523 20 70 DFIDRO O=C(Nc1cccc(-c2cnco2)c1)[C@H]1CCn2ccnc2C1 ZINC000160138072 425975601 /nfs/dbraw/zinc/97/56/01/425975601.db2.gz YQFQBIKNDUVKIL-ZDUSSCGKSA-N 1 0 308.341 2.739 20 70 DFIDRO COC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000160202750 425975969 /nfs/dbraw/zinc/97/59/69/425975969.db2.gz WFEJBVMQTFVECF-WBVHZDCISA-N 1 0 317.408 2.681 20 70 DFIDRO Cc1n[nH]cc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160208144 425976750 /nfs/dbraw/zinc/97/67/50/425976750.db2.gz RMNKKOBGIWJZIE-MRXNPFEDSA-N 1 0 301.390 2.605 20 70 DFIDRO COc1cc(C(=O)N(CCC#N)CCC[NH+](C)C)ccc1Cl ZINC000160240300 425977663 /nfs/dbraw/zinc/97/76/63/425977663.db2.gz STURPBDDUJPMDW-UHFFFAOYSA-N 1 0 323.824 2.656 20 70 DFIDRO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000160359749 425980113 /nfs/dbraw/zinc/98/01/13/425980113.db2.gz PLZAAOUGCGAKEU-OFAQMXQXSA-N 1 0 314.429 2.971 20 70 DFIDRO COc1ccccc1[C@@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000161441030 426024074 /nfs/dbraw/zinc/02/40/74/426024074.db2.gz NFGQRXKLCRAYPF-CQSZACIVSA-N 1 0 302.418 2.673 20 70 DFIDRO COc1ccccc1[C@H]1CCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000161441165 426024476 /nfs/dbraw/zinc/02/44/76/426024476.db2.gz NFGQRXKLCRAYPF-AWEZNQCLSA-N 1 0 302.418 2.673 20 70 DFIDRO CCC[C@H](C(=O)Nc1cccc(NC(=O)C2CC2)c1)[NH+](C)C ZINC000161456092 426024529 /nfs/dbraw/zinc/02/45/29/426024529.db2.gz KVIQAWVYDFHCNW-OAHLLOKOSA-N 1 0 303.406 2.704 20 70 DFIDRO CNC(NCc1ccc(OCc2ccccc2)c(OC)c1)=[NH+]C ZINC000161470611 426025946 /nfs/dbraw/zinc/02/59/46/426025946.db2.gz CDQHIJWEUFOYQW-UHFFFAOYSA-N 1 0 313.401 2.569 20 70 DFIDRO Cc1nc(CC(=O)NCC[N@@H+](C)Cc2ccccc2)c(C)s1 ZINC000161460075 426025968 /nfs/dbraw/zinc/02/59/68/426025968.db2.gz QIJIAKBPKGSEEH-UHFFFAOYSA-N 1 0 317.458 2.551 20 70 DFIDRO CS[C@H](C)CC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000161505773 426026311 /nfs/dbraw/zinc/02/63/11/426026311.db2.gz JZFQLMKSHHYLTN-CYBMUJFWSA-N 1 0 312.454 2.858 20 70 DFIDRO COC(=O)c1cc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)ccc1C ZINC000161490186 426026332 /nfs/dbraw/zinc/02/63/32/426026332.db2.gz VFIYCDYXYXIUHL-KBPBESRZSA-N 1 0 318.417 2.746 20 70 DFIDRO COc1cccc(F)c1[C@@H](C)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161052501 426006766 /nfs/dbraw/zinc/00/67/66/426006766.db2.gz MGSLEAJAAJTARP-RLAWYHOSSA-N 1 0 320.408 2.932 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000161042067 426006867 /nfs/dbraw/zinc/00/68/67/426006867.db2.gz UBVLHSWIQFGNDF-UHFFFAOYSA-N 1 0 313.401 2.803 20 70 DFIDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000161100524 426008752 /nfs/dbraw/zinc/00/87/52/426008752.db2.gz XXSSJXBVZSNGTD-MSOLQXFVSA-N 1 0 316.445 2.579 20 70 DFIDRO O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CC[NH+](CC2CC2)CC1 ZINC000161130192 426009764 /nfs/dbraw/zinc/00/97/64/426009764.db2.gz CCCKCDYTENXZDT-LSDHHAIUSA-N 1 0 320.383 2.623 20 70 DFIDRO COCCC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCC1 ZINC000161123523 426009961 /nfs/dbraw/zinc/00/99/61/426009961.db2.gz XJONESMRVLZSKH-OAHLLOKOSA-N 1 0 323.481 2.509 20 70 DFIDRO C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)C1CC1 ZINC000161154280 426011434 /nfs/dbraw/zinc/01/14/34/426011434.db2.gz OPLNMMZNHGLZSU-VNHYZAJKSA-N 1 0 308.372 2.525 20 70 DFIDRO C[NH+](C)[C@@H](CNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)C1CC1 ZINC000161154177 426011678 /nfs/dbraw/zinc/01/16/78/426011678.db2.gz OPLNMMZNHGLZSU-IPYPFGDCSA-N 1 0 308.372 2.525 20 70 DFIDRO O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000161189749 426012286 /nfs/dbraw/zinc/01/22/86/426012286.db2.gz SQHFXAWYRKSGIJ-ZYHUDNBSSA-N 1 0 304.287 2.545 20 70 DFIDRO C=CCN(C)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000161186529 426012493 /nfs/dbraw/zinc/01/24/93/426012493.db2.gz DAZUWRDNPPIQLK-MRXNPFEDSA-N 1 0 317.433 2.660 20 70 DFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000161187754 426012620 /nfs/dbraw/zinc/01/26/20/426012620.db2.gz FRXICYBZVZARCD-HOCLYGCPSA-N 1 0 304.434 2.983 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000161241274 426014921 /nfs/dbraw/zinc/01/49/21/426014921.db2.gz AJROJDOYXHXOPA-CJNGLKHVSA-N 1 0 322.424 2.879 20 70 DFIDRO CCC[NH+]1CCN(C(=O)Nc2cnn(CCC(C)C)c2C)CC1 ZINC000161317289 426019181 /nfs/dbraw/zinc/01/91/81/426019181.db2.gz JUQSSQOUECSQQC-UHFFFAOYSA-N 1 0 321.469 2.797 20 70 DFIDRO CC[C@@H](C)OCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000161346676 426020074 /nfs/dbraw/zinc/02/00/74/426020074.db2.gz DBZZYOWNKRMXHZ-LZLYRXPVSA-N 1 0 318.461 2.828 20 70 DFIDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000217881478 426566477 /nfs/dbraw/zinc/56/64/77/426566477.db2.gz RRSZZCPLGNXIFJ-LMOYCYGVSA-N 1 0 310.463 2.809 20 70 DFIDRO CC[NH+](CC)CCCNC(=O)NCCc1cccc(Cl)c1 ZINC000217460690 426564031 /nfs/dbraw/zinc/56/40/31/426564031.db2.gz SOGHZIXVNUCNMI-UHFFFAOYSA-N 1 0 311.857 2.914 20 70 DFIDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160423696 274107581 /nfs/dbraw/zinc/10/75/81/274107581.db2.gz WYQHQRLCQKZOPS-JSGCOSHPSA-N 1 0 300.406 2.569 20 70 DFIDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2N2CCOCC2)CCO1 ZINC000160482619 278389236 /nfs/dbraw/zinc/38/92/36/278389236.db2.gz NNURUMYDNDMFFR-MRXNPFEDSA-N 1 0 304.434 2.570 20 70 DFIDRO Cc1cc(C)cc(-c2nnc(NC(=O)[C@@H]([NH3+])C(C)C)s2)c1 ZINC000160118128 280412855 /nfs/dbraw/zinc/41/28/55/280412855.db2.gz VKGDQDGECHGFFM-LBPRGKRZSA-N 1 0 304.419 2.744 20 70 DFIDRO Cc1ccc([C@H]2CSCCN2C(=O)C2CC[NH2+]CC2)cc1 ZINC000160770479 281002793 /nfs/dbraw/zinc/00/27/93/281002793.db2.gz SDNRLCCFWVTGAX-MRXNPFEDSA-N 1 0 304.459 2.611 20 70 DFIDRO CC[C@H](c1ccncc1)N(C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159457022 295376984 /nfs/dbraw/zinc/37/69/84/295376984.db2.gz MDBCHSBKVJKPMK-GDBMZVCRSA-N 1 0 304.438 2.516 20 70 DFIDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C1CCC(C)(C)CC1 ZINC000159617833 295378991 /nfs/dbraw/zinc/37/89/91/295378991.db2.gz SMRLYWJXGJKBQO-MRXNPFEDSA-N 1 0 310.482 2.772 20 70 DFIDRO CCC(CC)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(=O)OC ZINC000159660734 295379857 /nfs/dbraw/zinc/37/98/57/295379857.db2.gz PHXBGSOSKLKSBC-UHFFFAOYSA-N 1 0 324.377 2.672 20 70 DFIDRO CS[C@H](C)CNC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000159725369 295380706 /nfs/dbraw/zinc/38/07/06/295380706.db2.gz FXECMCJSDPRYFN-GUTXKFCHSA-N 1 0 301.500 2.548 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCc3c2cccc3C)CC1 ZINC000159825121 295382149 /nfs/dbraw/zinc/38/21/49/295382149.db2.gz WAXRMWZMDIWMFI-KRWDZBQOSA-N 1 0 301.434 2.720 20 70 DFIDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2C)cc1OC ZINC000159823769 295382224 /nfs/dbraw/zinc/38/22/24/295382224.db2.gz FNAJOJNSXRNEMB-GFCCVEGCSA-N 1 0 303.406 2.987 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)Cc1ccc(C(N)=O)cc1 ZINC000159839313 295382656 /nfs/dbraw/zinc/38/26/56/295382656.db2.gz WFNOCSFUIDJDLU-UHFFFAOYSA-N 1 0 303.431 2.695 20 70 DFIDRO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCC[NH+]1CCCCCC1 ZINC000159867147 295383212 /nfs/dbraw/zinc/38/32/12/295383212.db2.gz HTUPWLHVRORCIS-ZDUSSCGKSA-N 1 0 306.454 2.512 20 70 DFIDRO C[C@H](NC(=O)N1CCc2cccc(F)c2C1)C(C)(C)C[NH+](C)C ZINC000159867008 295383219 /nfs/dbraw/zinc/38/32/19/295383219.db2.gz LGRVVENBCBKWLW-ZDUSSCGKSA-N 1 0 321.440 2.870 20 70 DFIDRO CS[C@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000160026687 295385587 /nfs/dbraw/zinc/38/55/87/295385587.db2.gz NLINLPUDLZBIDE-CQSZACIVSA-N 1 0 319.474 2.590 20 70 DFIDRO COC(C)(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000160070691 295385956 /nfs/dbraw/zinc/38/59/56/295385956.db2.gz SCVNJHMYTUFWJM-QWHCGFSZSA-N 1 0 300.443 2.837 20 70 DFIDRO CCCCN(C)c1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000160108035 295386489 /nfs/dbraw/zinc/38/64/89/295386489.db2.gz QGOLAPPQEZTFSB-GOSISDBHSA-N 1 0 317.477 2.993 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccc(C#N)cc1 ZINC000160420888 295391024 /nfs/dbraw/zinc/39/10/24/295391024.db2.gz FEGUFEDBTDEUNU-GOSISDBHSA-N 1 0 313.445 2.727 20 70 DFIDRO CC(=O)Nc1ccccc1C[NH2+]CCC(=O)Nc1ccccc1 ZINC000160450335 295391536 /nfs/dbraw/zinc/39/15/36/295391536.db2.gz GCSJLIKAQZUQDC-UHFFFAOYSA-N 1 0 311.385 2.763 20 70 DFIDRO Cc1cc(C)cc(CCNC(=O)[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000160592892 295393648 /nfs/dbraw/zinc/39/36/48/295393648.db2.gz KMUJKIPQYHGWGR-LJQANCHMSA-N 1 0 308.425 2.849 20 70 DFIDRO C[N@H+](CC(=O)N[C@@H]1CC(C)(C)c2ccccc21)[C@@H]1CCSC1 ZINC000160635581 295393766 /nfs/dbraw/zinc/39/37/66/295393766.db2.gz XCYRILYEGITVSL-CZUORRHYSA-N 1 0 318.486 2.963 20 70 DFIDRO CCOCCC1(CNc2nc(C(C)C)nc(N(C)C)n2)CC1 ZINC000160820933 295395365 /nfs/dbraw/zinc/39/53/65/295395365.db2.gz UJVVDXUTQKTHLU-UHFFFAOYSA-N 1 0 307.442 2.680 20 70 DFIDRO Cn1cnnc1C[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000160872215 295396042 /nfs/dbraw/zinc/39/60/42/295396042.db2.gz NXSLJDLUILBVQV-UHFFFAOYSA-N 1 0 302.397 2.942 20 70 DFIDRO Cc1cnc(N2CCC[C@@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000160453116 302349366 /nfs/dbraw/zinc/34/93/66/302349366.db2.gz BHONVUZXEJNRSL-CQSZACIVSA-N 1 0 304.394 2.753 20 70 DFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCc2cccc(F)c2C1 ZINC000159718512 520826028 /nfs/dbraw/zinc/82/60/28/520826028.db2.gz MTUHJGOIDLYHCL-ZDUSSCGKSA-N 1 0 307.413 2.624 20 70 DFIDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160414897 522296764 /nfs/dbraw/zinc/29/67/64/522296764.db2.gz RXMSWDTXPPKIII-HUUCEWRRSA-N 1 0 324.490 2.995 20 70 DFIDRO C[C@@H]1CCO[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000160376898 524542295 /nfs/dbraw/zinc/54/22/95/524542295.db2.gz LLBHBHLQNMJRHD-CRAIPNDOSA-N 1 0 316.445 2.534 20 70 DFIDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159632068 526072112 /nfs/dbraw/zinc/07/21/12/526072112.db2.gz KAYPBZVGPJTDNJ-UHFFFAOYSA-N 1 0 319.405 2.945 20 70 DFIDRO O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCC1CCCCC1 ZINC000161093385 526493719 /nfs/dbraw/zinc/49/37/19/526493719.db2.gz MRYMOFPSDOFKNL-IEBWSBKVSA-N 1 0 322.493 2.700 20 70 DFIDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(OCc4ccccn4)cc3)C[C@@H]21 ZINC000216983441 398345553 /nfs/dbraw/zinc/34/55/53/398345553.db2.gz MSSURWUMEUYYID-XLIONFOSSA-N 1 0 323.440 2.797 20 70 DFIDRO c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159549724 186126660 /nfs/dbraw/zinc/12/66/60/186126660.db2.gz KRIQRBATXYPSKJ-KSZLIROESA-N 1 0 309.413 2.920 20 70 DFIDRO c1cnn(-c2ccc(C[NH2+][C@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)c1 ZINC000159552251 186126741 /nfs/dbraw/zinc/12/67/41/186126741.db2.gz LXTDFYHJAVIOOX-SQNIBIBYSA-N 1 0 309.413 2.920 20 70 DFIDRO CC(C)(CCO)[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000159551017 186127181 /nfs/dbraw/zinc/12/71/81/186127181.db2.gz YUJFETCCQBUUAU-UHFFFAOYSA-N 1 0 314.223 2.635 20 70 DFIDRO C[NH+](C)CC[C@H](NC(=O)c1cccc2[nH]cnc21)C(C)(C)C ZINC000159572475 186127568 /nfs/dbraw/zinc/12/75/68/186127568.db2.gz QVMJMLJJPQJEIE-AWEZNQCLSA-N 1 0 302.422 2.659 20 70 DFIDRO Cc1cc(Br)oc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159572780 186127926 /nfs/dbraw/zinc/12/79/26/186127926.db2.gz LVJFYLKUJONMQA-UHFFFAOYSA-N 1 0 315.211 2.742 20 70 DFIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc2c(c1)OCCCO2 ZINC000159579068 186128162 /nfs/dbraw/zinc/12/81/62/186128162.db2.gz YNTLMNAKCVQGKT-AWEZNQCLSA-N 1 0 318.417 2.511 20 70 DFIDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000159576065 186128376 /nfs/dbraw/zinc/12/83/76/186128376.db2.gz PTYQSJFEUHZUNL-SMDDNHRTSA-N 1 0 314.476 2.604 20 70 DFIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCSC)cc1 ZINC000159590136 186129582 /nfs/dbraw/zinc/12/95/82/186129582.db2.gz UVJGZDKHSXMYRL-GFCCVEGCSA-N 1 0 301.477 2.884 20 70 DFIDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000159628546 186132118 /nfs/dbraw/zinc/13/21/18/186132118.db2.gz ZCMVKFOULIZUBX-JSGCOSHPSA-N 1 0 308.447 2.898 20 70 DFIDRO CSc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000159657544 186133722 /nfs/dbraw/zinc/13/37/22/186133722.db2.gz CSVNVJTXAAQURD-UHFFFAOYSA-N 1 0 323.418 2.708 20 70 DFIDRO c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159682442 186134994 /nfs/dbraw/zinc/13/49/94/186134994.db2.gz RPADCYRHBCRQEH-FHWLQOOXSA-N 1 0 323.440 2.979 20 70 DFIDRO CCC[C@H]([NH2+][C@H](C)CCOC)C(=O)N1CCc2sccc2C1 ZINC000160198738 283380011 /nfs/dbraw/zinc/38/00/11/283380011.db2.gz AQKAFGHWORQBDO-HIFRSBDPSA-N 1 0 324.490 2.816 20 70 DFIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccccc1F ZINC000159769086 398966540 /nfs/dbraw/zinc/96/65/40/398966540.db2.gz YAMNDOFIERWYBU-GOEBONIOSA-N 1 0 306.425 2.995 20 70 DFIDRO CCN(C(=O)NCCSC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159946087 398968025 /nfs/dbraw/zinc/96/80/25/398968025.db2.gz UBQNFDCWOPVSDX-INIZCTEOSA-N 1 0 321.490 2.655 20 70 DFIDRO CCSCC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000160143885 398969100 /nfs/dbraw/zinc/96/91/00/398969100.db2.gz IEEFRUWOJAEIPP-GXTWGEPZSA-N 1 0 301.427 2.687 20 70 DFIDRO COC(C)(C)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000160254773 398969304 /nfs/dbraw/zinc/96/93/04/398969304.db2.gz YZSOPRJFQPQOPF-SNVBAGLBSA-N 1 0 322.232 2.748 20 70 DFIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160346913 398970531 /nfs/dbraw/zinc/97/05/31/398970531.db2.gz CJDOFVWZSZJZJJ-WMLDXEAASA-N 1 0 319.474 2.696 20 70 DFIDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161369091 398975828 /nfs/dbraw/zinc/97/58/28/398975828.db2.gz IXVYVGVYXQJTRV-CQSZACIVSA-N 1 0 312.373 2.873 20 70 DFIDRO CCOCCOCc1cccc(NC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000161375876 197490679 /nfs/dbraw/zinc/49/06/79/197490679.db2.gz HSPJZRJWMQKVLE-GOSISDBHSA-N 1 0 320.433 2.568 20 70 DFIDRO C[C@]1(C(=O)N2CCC(OCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000161318596 197484787 /nfs/dbraw/zinc/48/47/87/197484787.db2.gz XSXXFPJZDGMWEL-IBGZPJMESA-N 1 0 316.445 2.584 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000161246698 197478277 /nfs/dbraw/zinc/47/82/77/197478277.db2.gz TVKZCARCMXBDHF-KRWDZBQOSA-N 1 0 318.461 2.817 20 70 DFIDRO C[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)Oc1ccc(Cl)cc1 ZINC000161134804 197468366 /nfs/dbraw/zinc/46/83/66/197468366.db2.gz UZNVKFOBWNECKQ-SCRDCRAPSA-N 1 0 310.825 2.741 20 70 DFIDRO Cc1n[nH]c(C)c1NC(=O)CSCC[NH+](C(C)C)C(C)C ZINC000161043240 197460418 /nfs/dbraw/zinc/46/04/18/197460418.db2.gz XIPXJLDZQYUZII-UHFFFAOYSA-N 1 0 312.483 2.817 20 70 DFIDRO N#Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)[nH]1 ZINC000160861601 197444713 /nfs/dbraw/zinc/44/47/13/197444713.db2.gz UAROIMQWHCGOEQ-UHFFFAOYSA-N 1 0 308.385 2.777 20 70 DFIDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160750692 197436129 /nfs/dbraw/zinc/43/61/29/197436129.db2.gz IIJYDGHPNBNZJT-RHSMWYFYSA-N 1 0 320.389 2.601 20 70 DFIDRO CCc1cnc(NC(=O)NC2CCC(C[NH+](C)C)CC2)s1 ZINC000160620370 197427142 /nfs/dbraw/zinc/42/71/42/197427142.db2.gz NIVVRHKQWIGVTA-UHFFFAOYSA-N 1 0 310.467 2.947 20 70 DFIDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@@H]1CCOC1 ZINC000160523286 197419436 /nfs/dbraw/zinc/41/94/36/197419436.db2.gz PESOUZGOZRXVME-NVXWUHKLSA-N 1 0 303.450 2.977 20 70 DFIDRO Cc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@H]3C[NH3+])c2c1 ZINC000160355268 197402898 /nfs/dbraw/zinc/40/28/98/197402898.db2.gz QPLQDKWIPYAMHV-AWEZNQCLSA-N 1 0 309.413 2.984 20 70 DFIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cnn(CC)c2)c1 ZINC000160184994 197391604 /nfs/dbraw/zinc/39/16/04/197391604.db2.gz KMBPFCJESDHNCG-CYBMUJFWSA-N 1 0 300.406 2.504 20 70 DFIDRO CC(C)([NH3+])CNC(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000160076649 197383868 /nfs/dbraw/zinc/38/38/68/197383868.db2.gz YOXAWVFFZUUSRZ-UHFFFAOYSA-N 1 0 303.793 2.869 20 70 DFIDRO CCCCOc1ccc(/C=C/C(=O)NCC(C)(C)[NH3+])cc1OC ZINC000160044932 197382261 /nfs/dbraw/zinc/38/22/61/197382261.db2.gz DJPZOTSFHISQJV-CSKARUKUSA-N 1 0 320.433 2.741 20 70 DFIDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000160007819 197379477 /nfs/dbraw/zinc/37/94/77/197379477.db2.gz DOTMWLOCQPJMCJ-UHFFFAOYSA-N 1 0 318.396 2.939 20 70 DFIDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000159969644 197376411 /nfs/dbraw/zinc/37/64/11/197376411.db2.gz XLBLSNBYIVGNLY-JTQLQIEISA-N 1 0 302.340 2.738 20 70 DFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1CCC1 ZINC000159920967 197373356 /nfs/dbraw/zinc/37/33/56/197373356.db2.gz SKJRIXUSKIBOPQ-PBHICJAKSA-N 1 0 301.434 2.701 20 70 DFIDRO C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)c1cccnc1 ZINC000159906016 197372884 /nfs/dbraw/zinc/37/28/84/197372884.db2.gz GRFJNSGPZRUAGJ-OAHLLOKOSA-N 1 0 318.465 2.906 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)c2ccc(C)cc2)CC1 ZINC000159888524 197371143 /nfs/dbraw/zinc/37/11/43/197371143.db2.gz FPLNKZFFGZSKNF-INIZCTEOSA-N 1 0 303.450 2.836 20 70 DFIDRO COCCOC[C@@H]1CC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000159854967 197369316 /nfs/dbraw/zinc/36/93/16/197369316.db2.gz JZNNYCXGGGLJEC-MRXNPFEDSA-N 1 0 305.418 2.553 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)c2cccs2)CC1 ZINC000159863064 197369374 /nfs/dbraw/zinc/36/93/74/197369374.db2.gz MIHAITDBKWYKDN-UHFFFAOYSA-N 1 0 309.479 2.763 20 70 DFIDRO CCOc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159852147 197368849 /nfs/dbraw/zinc/36/88/49/197368849.db2.gz BIQZQYFRUHUNEH-PBHICJAKSA-N 1 0 320.433 2.507 20 70 DFIDRO C[C@H]1CN(c2ncc(Cl)cc2Br)C[C@@H]1[NH+](C)C ZINC000159845753 197368298 /nfs/dbraw/zinc/36/82/98/197368298.db2.gz PQQZCVBJLDJFSJ-KWQFWETISA-N 1 0 318.646 2.884 20 70 DFIDRO CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159787748 197364599 /nfs/dbraw/zinc/36/45/99/197364599.db2.gz XMWZZJCORVPQPT-AWEZNQCLSA-N 1 0 305.466 2.878 20 70 DFIDRO CSC[C@@H](C)NC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000160419579 295390961 /nfs/dbraw/zinc/39/09/61/295390961.db2.gz NGLLFDAIUJKLRL-CQSZACIVSA-N 1 0 315.527 2.891 20 70 DFIDRO C[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)C[NH+]1CCCCC1 ZINC000159779701 197363300 /nfs/dbraw/zinc/36/33/00/197363300.db2.gz SKMGYZHWUIXDKH-AWEZNQCLSA-N 1 0 321.440 2.744 20 70 DFIDRO [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CCCCC1 ZINC000159768289 197362765 /nfs/dbraw/zinc/36/27/65/197362765.db2.gz WEGZBAIDMKKAFA-CHWSQXEVSA-N 1 0 308.372 2.846 20 70 DFIDRO Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1NC(=O)C(C)(C)C ZINC000159528677 197360591 /nfs/dbraw/zinc/36/05/91/197360591.db2.gz HYJLAQXAXCFGMX-ZDUSSCGKSA-N 1 0 317.433 2.918 20 70 DFIDRO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000159527095 197360609 /nfs/dbraw/zinc/36/06/09/197360609.db2.gz ITDKKUNZSCCDDI-ZDUSSCGKSA-N 1 0 317.433 2.918 20 70 DFIDRO CC(C)[C@H]([NH3+])C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000159510328 197359307 /nfs/dbraw/zinc/35/93/07/197359307.db2.gz XLJOBUBTQYJWEO-JKSUJKDBSA-N 1 0 324.852 2.595 20 70 DFIDRO [NH3+]C1(CNC(=O)COc2ccc(F)cc2Cl)CCCCC1 ZINC000159460107 197355229 /nfs/dbraw/zinc/35/52/29/197355229.db2.gz KENYCHWCVPDHEX-UHFFFAOYSA-N 1 0 314.788 2.636 20 70 DFIDRO CCN(CC)[C@@H](C[NH2+]C1CCC(NC(C)=O)CC1)CC(C)C ZINC000161268209 284773714 /nfs/dbraw/zinc/77/37/14/284773714.db2.gz IGHLYUNPYAROQX-DAWZGUTISA-N 1 0 311.514 2.780 20 70 DFIDRO Cn1c(Cl)cnc1C[NH2+]CCc1cccc2cccnc21 ZINC000159394975 197350580 /nfs/dbraw/zinc/35/05/80/197350580.db2.gz SWDSMQRNGZKAJJ-UHFFFAOYSA-N 1 0 300.793 2.954 20 70 DFIDRO Cc1nccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1Cl ZINC000159375037 542717355 /nfs/dbraw/zinc/71/73/55/542717355.db2.gz WWYOPVFTFDNGBV-GXFFZTMASA-N 1 0 310.829 2.894 20 70 DFIDRO Cc1cnn(-c2ccc(NC(=O)[C@H]([NH3+])CC(C)C)cc2F)c1 ZINC000159774566 542719509 /nfs/dbraw/zinc/71/95/09/542719509.db2.gz OKAVTCNKXRMSBL-CQSZACIVSA-N 1 0 304.369 2.632 20 70 DFIDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](C)c2ccncc2)CC1 ZINC000160071140 542721182 /nfs/dbraw/zinc/72/11/82/542721182.db2.gz WLVYTNHTGQSJEG-OAHLLOKOSA-N 1 0 301.434 2.732 20 70 DFIDRO C[C@@H](CCO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160341176 542722747 /nfs/dbraw/zinc/72/27/47/542722747.db2.gz KNCQBPSTPQPHLJ-JTQLQIEISA-N 1 0 309.207 2.858 20 70 DFIDRO CCOc1ccccc1OCCCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161174603 542727669 /nfs/dbraw/zinc/72/76/69/542727669.db2.gz ROEJKMXAMKGGGN-GJZGRUSLSA-N 1 0 320.433 2.630 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000161249548 542728010 /nfs/dbraw/zinc/72/80/10/542728010.db2.gz YTKXURFQIWDMIJ-GHMZBOCLSA-N 1 0 311.223 2.580 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(Br)ccc2F)C1 ZINC000161361128 542728466 /nfs/dbraw/zinc/72/84/66/542728466.db2.gz BKFVTNZTNDXRCU-NXEZZACHSA-N 1 0 315.186 2.588 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2csc(-c3ccc(F)cc3)n2)C1 ZINC000161433549 542729367 /nfs/dbraw/zinc/72/93/67/542729367.db2.gz GUJWRLCCKJQFAZ-STQMWFEESA-N 1 0 319.405 2.949 20 70 DFIDRO CC[N@H+](CCCCS(C)(=O)=O)Cc1cccc(Cl)c1 ZINC000161466745 542729909 /nfs/dbraw/zinc/72/99/09/542729909.db2.gz OIMSPJABMDCONB-UHFFFAOYSA-N 1 0 303.855 2.987 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2ccc(OC(F)F)cc2)C1 ZINC000161497660 542730784 /nfs/dbraw/zinc/73/07/84/542730784.db2.gz ODXCEVMYNDFEHE-QWHCGFSZSA-N 1 0 312.360 2.607 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2c[nH]nc2-c2ccccc2Cl)C1 ZINC000160789403 542724860 /nfs/dbraw/zinc/72/48/60/542724860.db2.gz PQCYAHKBGGCYGJ-WDEREUQCSA-N 1 0 318.808 2.730 20 70 DFIDRO Cc1cc(C)c(C)c(OCCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000160823855 542724999 /nfs/dbraw/zinc/72/49/99/542724999.db2.gz DGRVEBAKRQHTFF-CVEARBPZSA-N 1 0 304.434 2.767 20 70 DFIDRO Cc1cc(OC(F)F)c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000161037795 542726443 /nfs/dbraw/zinc/72/64/43/542726443.db2.gz YVTTZIDZHBXELQ-DTWKUNHWSA-N 1 0 304.362 2.658 20 70 DFIDRO O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1ccc(Cl)cc1 ZINC000217388535 542877500 /nfs/dbraw/zinc/87/75/00/542877500.db2.gz KJMMLJJTPQYBHI-UHFFFAOYSA-N 1 0 314.772 2.726 20 70 DFIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(O)c(F)c1 ZINC000160439958 145220829 /nfs/dbraw/zinc/22/08/29/145220829.db2.gz PYLHSIBSKKLRBB-CQSZACIVSA-N 1 0 323.412 2.595 20 70 DFIDRO CSC[C@](C)(O)C[NH2+]Cc1cc(Br)ccc1F ZINC000217850386 146000788 /nfs/dbraw/zinc/00/07/88/146000788.db2.gz BINHGMLIFYDFPO-GFCCVEGCSA-N 1 0 322.243 2.792 20 70 DFIDRO Cc1ccc([C@@H]2CSCCN2C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000160771160 292223986 /nfs/dbraw/zinc/22/39/86/292223986.db2.gz HZMPTELKRVDTRR-CVEARBPZSA-N 1 0 304.459 2.611 20 70 DFIDRO CCC(CC)n1nccc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000160812681 267541804 /nfs/dbraw/zinc/54/18/04/267541804.db2.gz FRCOKMZAWXIWBS-UHFFFAOYSA-N 1 0 318.465 2.945 20 70 DFIDRO CC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000217709679 268138657 /nfs/dbraw/zinc/13/86/57/268138657.db2.gz SLPXMUPMSGZJCM-MGPQQGTHSA-N 1 0 300.443 2.573 20 70 DFIDRO CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000218114042 268140073 /nfs/dbraw/zinc/14/00/73/268140073.db2.gz SKGUCRICKHVJIY-VXGQWTEUSA-N 1 0 312.454 2.573 20 70 DFIDRO C[C@H](C(=O)N(C)CCC1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000160353221 425980819 /nfs/dbraw/zinc/98/08/19/425980819.db2.gz CUDDDGSZUXFKRY-WMLDXEAASA-N 1 0 304.434 2.598 20 70 DFIDRO CC(C)(C)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160405659 425981600 /nfs/dbraw/zinc/98/16/00/425981600.db2.gz PNCFWTNLCAEXFO-QGZVFWFLSA-N 1 0 318.461 2.561 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1OC(F)F)CC2 ZINC000160416931 425981702 /nfs/dbraw/zinc/98/17/02/425981702.db2.gz RUGLVTVADYMYFC-PWSUYJOCSA-N 1 0 322.359 2.854 20 70 DFIDRO Cc1nc(CC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c(C)s1 ZINC000160401924 425981949 /nfs/dbraw/zinc/98/19/49/425981949.db2.gz MXVFCAAYQMRKDW-CQSZACIVSA-N 1 0 309.479 2.539 20 70 DFIDRO C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000160392102 425982102 /nfs/dbraw/zinc/98/21/02/425982102.db2.gz IMSNDACDZKTBND-TWMKSMIVSA-N 1 0 308.466 2.524 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC(=O)c1cccs1 ZINC000160573973 425987867 /nfs/dbraw/zinc/98/78/67/425987867.db2.gz NKWIVVAJLABCFF-CQSZACIVSA-N 1 0 322.474 2.948 20 70 DFIDRO CCc1ccc([C@H](CC)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160564203 425987966 /nfs/dbraw/zinc/98/79/66/425987966.db2.gz LRVQWQGTTSBKCA-ZDUSSCGKSA-N 1 0 302.340 2.968 20 70 DFIDRO CC[C@@H](Sc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160637128 425991365 /nfs/dbraw/zinc/99/13/65/425991365.db2.gz WWVDKVNGLCDRRY-IJEWVQPXSA-N 1 0 304.459 2.910 20 70 DFIDRO C[NH2+]C[C@@H](C)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000160692269 425992494 /nfs/dbraw/zinc/99/24/94/425992494.db2.gz AOWCVJZEIILRJP-KCJUWKMLSA-N 1 0 308.731 2.915 20 70 DFIDRO CC(C)[C@@H](C(=O)NCCc1csc(C(C)(C)C)n1)[NH+](C)C ZINC000160697382 425993130 /nfs/dbraw/zinc/99/31/30/425993130.db2.gz QNBBLPKZVSHUPT-ZDUSSCGKSA-N 1 0 311.495 2.686 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C1 ZINC000160729237 425994069 /nfs/dbraw/zinc/99/40/69/425994069.db2.gz UDBWOSLCSHHNJQ-INIZCTEOSA-N 1 0 315.804 2.836 20 70 DFIDRO Cc1nc(Cl)ccc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000160753425 425994463 /nfs/dbraw/zinc/99/44/63/425994463.db2.gz CHCBSYNEIYXVEY-RYUDHWBXSA-N 1 0 309.841 2.894 20 70 DFIDRO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161015869 426005940 /nfs/dbraw/zinc/00/59/40/426005940.db2.gz KDYIAHUXNPVCHL-MJQMVNBJSA-N 1 0 322.493 2.651 20 70 DFIDRO COC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000160770272 425995566 /nfs/dbraw/zinc/99/55/66/425995566.db2.gz VENZHROBBSBAEP-MNEFBYGVSA-N 1 0 302.462 2.912 20 70 DFIDRO C[C@]1(CNc2cnc(C#N)cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000160807546 425996392 /nfs/dbraw/zinc/99/63/92/425996392.db2.gz FAFWDMOUUSKFHD-GOSISDBHSA-N 1 0 307.401 2.815 20 70 DFIDRO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160790446 425996679 /nfs/dbraw/zinc/99/66/79/425996679.db2.gz NUJOISNCBAYQCO-LSDHHAIUSA-N 1 0 314.433 2.828 20 70 DFIDRO C#CCCCCNC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000160847466 425998042 /nfs/dbraw/zinc/99/80/42/425998042.db2.gz DLWVFTQQIOWWNG-INIZCTEOSA-N 1 0 313.445 2.536 20 70 DFIDRO C[C@H]1CCC[C@H](CO)[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160894896 425999776 /nfs/dbraw/zinc/99/97/76/425999776.db2.gz NEYUUDZKEHRSMM-GOEBONIOSA-N 1 0 310.482 2.506 20 70 DFIDRO CN(CCC1CC1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000160908485 426001243 /nfs/dbraw/zinc/00/12/43/426001243.db2.gz XMZOFFKRISQYHU-HNNXBMFYSA-N 1 0 305.422 2.858 20 70 DFIDRO COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)s1 ZINC000160923468 426001565 /nfs/dbraw/zinc/00/15/65/426001565.db2.gz SEKJTWFGVCLRAX-WBMJQRKESA-N 1 0 309.431 2.662 20 70 DFIDRO CC1=C(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCO1 ZINC000160909681 426001887 /nfs/dbraw/zinc/00/18/87/426001887.db2.gz QFLTWCAUUKVXEB-PBHICJAKSA-N 1 0 304.434 2.546 20 70 DFIDRO O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000159369019 425959301 /nfs/dbraw/zinc/95/93/01/425959301.db2.gz IBZYWUXTJHAJRP-ZBFHGGJFSA-N 1 0 320.383 2.811 20 70 DFIDRO COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCC1=O)CCCO2 ZINC000159476447 425960614 /nfs/dbraw/zinc/96/06/14/425960614.db2.gz HSHUKRHSBXRUIZ-INIZCTEOSA-N 1 0 318.417 2.511 20 70 DFIDRO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1OC(C)C ZINC000159532879 425961678 /nfs/dbraw/zinc/96/16/78/425961678.db2.gz YHXDDJKGUNXNNU-ZFWWWQNUSA-N 1 0 320.433 2.568 20 70 DFIDRO C=CCOc1ccc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000159516398 425962253 /nfs/dbraw/zinc/96/22/53/425962253.db2.gz KALKNGISZSYSLI-TZMCWYRMSA-N 1 0 322.836 2.991 20 70 DFIDRO O=C(N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1(c2cccc(F)c2)CCCC1 ZINC000159595602 425962852 /nfs/dbraw/zinc/96/28/52/425962852.db2.gz XRZNCRHXGORCAJ-CALCHBBNSA-N 1 0 316.420 2.990 20 70 DFIDRO C[N@@H+](Cc1ccnc(-c2ccc(F)cc2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159625097 425964084 /nfs/dbraw/zinc/96/40/84/425964084.db2.gz YGENYFWEPNKEMX-YOEHRIQHSA-N 1 0 315.392 2.876 20 70 DFIDRO CC(C)c1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000159605387 425964432 /nfs/dbraw/zinc/96/44/32/425964432.db2.gz KAXZVXFYBQVIQO-TZMCWYRMSA-N 1 0 319.405 2.804 20 70 DFIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000159689263 425964976 /nfs/dbraw/zinc/96/49/76/425964976.db2.gz HMIRHFACBSITSC-AAEUAGOBSA-N 1 0 304.287 2.687 20 70 DFIDRO COc1cccc2c1CC[C@@H]2NC(=O)N(CC[NH+](C)C)C(C)C ZINC000159662605 425965209 /nfs/dbraw/zinc/96/52/09/425965209.db2.gz PRFNTJJYRIJHLE-INIZCTEOSA-N 1 0 319.449 2.664 20 70 DFIDRO CC(C)(C)c1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)no1 ZINC000159807759 425968285 /nfs/dbraw/zinc/96/82/85/425968285.db2.gz MNTZGWQPWBYZCM-UHFFFAOYSA-N 1 0 305.422 2.576 20 70 DFIDRO C[C@H](C[NH2+][C@@H](C)C1CCOCC1)N1CCc2ccccc2C1 ZINC000159840445 425969249 /nfs/dbraw/zinc/96/92/49/425969249.db2.gz AIEHWXZAQFCGDR-CVEARBPZSA-N 1 0 302.462 2.838 20 70 DFIDRO Cc1cc(C#N)ccc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000159935023 425970234 /nfs/dbraw/zinc/97/02/34/425970234.db2.gz AHSIMGYTTJHUJM-SFHVURJKSA-N 1 0 321.424 2.769 20 70 DFIDRO O=C(/C=C/c1cccc2cccnc12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159905000 425970324 /nfs/dbraw/zinc/97/03/24/425970324.db2.gz BKLUTJMGTMVXSI-AEHISBCRSA-N 1 0 307.397 2.601 20 70 DFIDRO CCOCCC[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000159893313 425970356 /nfs/dbraw/zinc/97/03/56/425970356.db2.gz RYQPNDMESBTGIU-UHFFFAOYSA-N 1 0 310.463 2.677 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Cc2cccs2)CC1 ZINC000159909255 425970876 /nfs/dbraw/zinc/97/08/76/425970876.db2.gz WKAICLMQJYFKTI-CQSZACIVSA-N 1 0 309.479 2.664 20 70 DFIDRO CN(C(=O)Nc1ccccc1C(F)(F)F)[C@H](C[NH3+])C1CC1 ZINC000159904434 425970991 /nfs/dbraw/zinc/97/09/91/425970991.db2.gz PCCPYJMKEJCCOE-GFCCVEGCSA-N 1 0 301.312 2.906 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)C[C@H](O)COc1ccccc1 ZINC000159952761 425971700 /nfs/dbraw/zinc/97/17/00/425971700.db2.gz VXAMDNCMSIKDKD-HNNXBMFYSA-N 1 0 320.458 2.836 20 70 DFIDRO CN(Cc1ccc(F)cc1Br)[C@H](C[NH3+])C1CC1 ZINC000160015883 425972462 /nfs/dbraw/zinc/97/24/62/425972462.db2.gz HINGNLAPTLHURO-CYBMUJFWSA-N 1 0 301.203 2.757 20 70 DFIDRO Cc1cc(C)cc(-c2nnc(NC(=O)[C@@H]3CCC[NH2+]3)s2)c1 ZINC000160117411 425973865 /nfs/dbraw/zinc/97/38/65/425973865.db2.gz RWLWPBJHGFAAED-LBPRGKRZSA-N 1 0 302.403 2.512 20 70 DFIDRO C[N@H+](CCN1CCO[C@H](c2ccco2)C1)Cc1ccc(F)cc1 ZINC000160099439 425974586 /nfs/dbraw/zinc/97/45/86/425974586.db2.gz HSAZFSAKNOCDPQ-SFHVURJKSA-N 1 0 318.392 2.924 20 70 DFIDRO C[N@H+](CCOCC1CC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160125806 425975207 /nfs/dbraw/zinc/97/52/07/425975207.db2.gz YZRAGNVNWXRPPI-UHFFFAOYSA-N 1 0 310.482 2.630 20 70 DFIDRO CCCCN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@H](C)c1ccccc1 ZINC000160183732 425976097 /nfs/dbraw/zinc/97/60/97/425976097.db2.gz CNONZTPSPBQCFV-NVXWUHKLSA-N 1 0 304.434 2.755 20 70 DFIDRO COc1cc(C)c([C@H](C)[NH2+][C@@H](CCO)CSC)cc1OC ZINC000160187605 425976554 /nfs/dbraw/zinc/97/65/54/425976554.db2.gz SFXUMBVWYUKSMZ-STQMWFEESA-N 1 0 313.463 2.777 20 70 DFIDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCC1CCCC1 ZINC000160350207 425979470 /nfs/dbraw/zinc/97/94/70/425979470.db2.gz GBJQJYWHGOTPLB-CYBMUJFWSA-N 1 0 310.463 2.907 20 70 DFIDRO CCCC[N@H+](C)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000160372306 425980279 /nfs/dbraw/zinc/98/02/79/425980279.db2.gz MJUUJXKZFBTBPK-UHFFFAOYSA-N 1 0 302.374 2.869 20 70 DFIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CC[C@H](C)[C@H]3C)c2c1 ZINC000161408790 426023010 /nfs/dbraw/zinc/02/30/10/426023010.db2.gz RRRSKMKVNNFRIJ-NWDGAFQWSA-N 1 0 314.385 2.868 20 70 DFIDRO CC[C@@](C)(O)C[N@H+](C)CCCOc1cc(OC)cc(OC)c1 ZINC000161503422 426026102 /nfs/dbraw/zinc/02/61/02/426026102.db2.gz KNCUFUBNNSYZDP-QGZVFWFLSA-N 1 0 311.422 2.566 20 70 DFIDRO CCS[C@H]1CC[C@@H](N(C)C(=O)NCC[NH+](CC)CC)C1 ZINC000161486152 426026894 /nfs/dbraw/zinc/02/68/94/426026894.db2.gz PSBMRXKSOKQAPN-KGLIPLIRSA-N 1 0 301.500 2.644 20 70 DFIDRO CC[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161483879 426027032 /nfs/dbraw/zinc/02/70/32/426027032.db2.gz PXQDDNSAFQSMCD-WWDZGPRUSA-N 1 0 323.525 2.924 20 70 DFIDRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)C[NH+]1CCCC1 ZINC000161072617 426007941 /nfs/dbraw/zinc/00/79/41/426007941.db2.gz WXOZHDWISPWFFH-JGGQBBKZSA-N 1 0 322.399 2.916 20 70 DFIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](COC)C(C)C)c1 ZINC000161114271 426008667 /nfs/dbraw/zinc/00/86/67/426008667.db2.gz YBXZDCPEKMQBLT-WMLDXEAASA-N 1 0 306.450 2.976 20 70 DFIDRO CCc1c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)[nH]c(C)c1C(C)=O ZINC000161113472 426008674 /nfs/dbraw/zinc/00/86/74/426008674.db2.gz USQODKFGOGWTJP-NHYWBVRUSA-N 1 0 319.449 2.547 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000161108735 426009244 /nfs/dbraw/zinc/00/92/44/426009244.db2.gz FWBZNVQDWDNUCM-LSDHHAIUSA-N 1 0 322.399 2.916 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000161150337 426009969 /nfs/dbraw/zinc/00/99/69/426009969.db2.gz CNKCZUBTFACNBY-UFBFGSQYSA-N 1 0 304.818 2.737 20 70 DFIDRO O=C([C@H]1C[C@H]1c1cccc(F)c1F)N1CC[NH+](CC2CC2)CC1 ZINC000161129955 426010047 /nfs/dbraw/zinc/01/00/47/426010047.db2.gz CCCKCDYTENXZDT-GJZGRUSLSA-N 1 0 320.383 2.623 20 70 DFIDRO CCCC[C@@H](COC)[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161164485 426011464 /nfs/dbraw/zinc/01/14/64/426011464.db2.gz RPYNYSNBOVVMSK-HNNXBMFYSA-N 1 0 308.470 2.732 20 70 DFIDRO C[C@@H]1SCCN(C(=O)C2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000161182946 426012386 /nfs/dbraw/zinc/01/23/86/426012386.db2.gz NMAOSICJJWLCEF-BBRMVZONSA-N 1 0 304.459 2.691 20 70 DFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000161192529 426012900 /nfs/dbraw/zinc/01/29/00/426012900.db2.gz XSQRQAGWPBOTLE-WDUKFBBWSA-N 1 0 308.491 2.949 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000161231567 426013550 /nfs/dbraw/zinc/01/35/50/426013550.db2.gz WQKHPAAHRWUIJO-HNNXBMFYSA-N 1 0 321.469 2.925 20 70 DFIDRO CC1CCC(N(C[C@@H]2CCCO2)C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000161224879 426013568 /nfs/dbraw/zinc/01/35/68/426013568.db2.gz TWOLZQCAZGCHHH-XGHPGWEVSA-N 1 0 308.466 2.715 20 70 DFIDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccn(CCC(C)C)n1 ZINC000161230416 426013637 /nfs/dbraw/zinc/01/36/37/426013637.db2.gz MRFLYVPVOPTBAB-CQSZACIVSA-N 1 0 309.458 2.781 20 70 DFIDRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCCOC1 ZINC000161258771 426014784 /nfs/dbraw/zinc/01/47/84/426014784.db2.gz JCWWKPGOZWSLKE-UONOGXRCSA-N 1 0 300.443 2.694 20 70 DFIDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCn1cccn1 ZINC000161240654 426014892 /nfs/dbraw/zinc/01/48/92/426014892.db2.gz MWAWXKGJWMEWDK-UHFFFAOYSA-N 1 0 309.417 2.838 20 70 DFIDRO C[C@@H]1CCO[C@@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000161273312 426016272 /nfs/dbraw/zinc/01/62/72/426016272.db2.gz ASZLNTURYDBLSE-RYRKJORJSA-N 1 0 322.493 2.915 20 70 DFIDRO CC(=O)[C@@H]1C[C@H](C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1(C)C ZINC000161289165 426017113 /nfs/dbraw/zinc/01/71/13/426017113.db2.gz KHYZGGMHFXPEKG-UONOGXRCSA-N 1 0 308.466 2.663 20 70 DFIDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2=O)C1(C)C ZINC000161287842 426017493 /nfs/dbraw/zinc/01/74/93/426017493.db2.gz LTCIRSFIWHJVKF-FVQBIDKESA-N 1 0 320.408 2.724 20 70 DFIDRO Cc1ccc(C(=O)CC[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 ZINC000161300537 426017712 /nfs/dbraw/zinc/01/77/12/426017712.db2.gz WWQAKTGHWXBEAY-SJORKVTESA-N 1 0 314.429 2.558 20 70 DFIDRO C[C@]1(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CCC[NH2+]C1 ZINC000161335164 426019816 /nfs/dbraw/zinc/01/98/16/426019816.db2.gz VTGGKMIENYTOAR-KRWDZBQOSA-N 1 0 319.836 2.870 20 70 DFIDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000161350075 426021456 /nfs/dbraw/zinc/02/14/56/426021456.db2.gz JYPRGNVNKOCMDT-YOEHRIQHSA-N 1 0 322.412 2.527 20 70 DFIDRO CC(=O)NC1CCC([NH2+]CCCOc2ccc(F)cc2)CC1 ZINC000161377263 426022021 /nfs/dbraw/zinc/02/20/21/426022021.db2.gz GYPPUIOSRNMWEZ-UHFFFAOYSA-N 1 0 308.397 2.632 20 70 DFIDRO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCCO2)[NH+](C)C)cc1 ZINC000161395570 426022053 /nfs/dbraw/zinc/02/20/53/426022053.db2.gz QJPBJEBPDDIRLF-SJORKVTESA-N 1 0 304.434 2.537 20 70 DFIDRO Cc1cccc(CSCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000161401979 426022280 /nfs/dbraw/zinc/02/22/80/426022280.db2.gz JRVXAHDCCYANNY-SJPCQFCGSA-N 1 0 318.486 2.970 20 70 DFIDRO CC(C)[N@H+]1C[C@H](NC(=O)/C=C/SCc2ccco2)[C@@H](C)C1 ZINC000161375008 426022377 /nfs/dbraw/zinc/02/23/77/426022377.db2.gz YLCNFQSMPOSRLZ-CSIFZYERSA-N 1 0 308.447 2.871 20 70 DFIDRO CCc1c(C)[nH+]c2ccccc2c1N1CCS(=O)(=O)[C@@H](C)C1 ZINC000160754972 276682788 /nfs/dbraw/zinc/68/27/88/276682788.db2.gz BQTHTDMYKVHILO-LBPRGKRZSA-N 1 0 318.442 2.729 20 70 DFIDRO CN(Cc1cc(F)ccc1Br)[C@H](C[NH3+])C1CC1 ZINC000160039009 276985045 /nfs/dbraw/zinc/98/50/45/276985045.db2.gz VNQZSRJYXUSJGP-CYBMUJFWSA-N 1 0 301.203 2.757 20 70 DFIDRO CC(C)c1nc2c(n1C)CCN(CCC[NH+]1CCCCC1)C2 ZINC000161350207 278075231 /nfs/dbraw/zinc/07/52/31/278075231.db2.gz KKHOADCRFQAZBH-UHFFFAOYSA-N 1 0 304.482 2.778 20 70 DFIDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c(C)c1 ZINC000159422215 295376634 /nfs/dbraw/zinc/37/66/34/295376634.db2.gz CSSHEQJJWURFTF-KRWDZBQOSA-N 1 0 324.490 2.597 20 70 DFIDRO Cc1ccc(C[C@H](C)N(C)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000159445630 295376777 /nfs/dbraw/zinc/37/67/77/295376777.db2.gz VFFMHXUKLOXPCH-FUHWJXTLSA-N 1 0 317.477 2.909 20 70 DFIDRO C[C@@H](CC(=O)NC[C@@H](C1CC1)[NH+](C)C)c1ccc(F)cc1F ZINC000159575849 295378794 /nfs/dbraw/zinc/37/87/94/295378794.db2.gz RSZHVJYAMJNSPL-ZBEGNZNMSA-N 1 0 310.388 2.915 20 70 DFIDRO COc1cc(C)cc(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000159612171 295379175 /nfs/dbraw/zinc/37/91/75/295379175.db2.gz DVJUSENBVZKSKX-HNNXBMFYSA-N 1 0 319.449 2.677 20 70 DFIDRO C[C@@H]1CCC[C@@](CNC(=O)NCc2ncccc2F)([NH+](C)C)C1 ZINC000159723944 295380774 /nfs/dbraw/zinc/38/07/74/295380774.db2.gz NWIWIQHECCPBIB-CXAGYDPISA-N 1 0 322.428 2.530 20 70 DFIDRO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000159716828 295380807 /nfs/dbraw/zinc/38/08/07/295380807.db2.gz SZYZOKVISBNZGX-INMHGKMJSA-N 1 0 303.450 2.977 20 70 DFIDRO C[C@H]1CCC[C@](CNC(=O)NCc2ncccc2F)([NH+](C)C)C1 ZINC000159724360 295380927 /nfs/dbraw/zinc/38/09/27/295380927.db2.gz NWIWIQHECCPBIB-GUYCJALGSA-N 1 0 322.428 2.530 20 70 DFIDRO Cn1ncc2c1ncnc2NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000159754617 295381362 /nfs/dbraw/zinc/38/13/62/295381362.db2.gz SJIFYWYPWGMUKL-UHFFFAOYSA-N 1 0 324.432 2.686 20 70 DFIDRO CC(C)(C)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159830792 295382666 /nfs/dbraw/zinc/38/26/66/295382666.db2.gz QWDWLSJHGWZQHS-AWEZNQCLSA-N 1 0 321.421 2.905 20 70 DFIDRO CCC[N@H+](CC)CCNC(=O)N1CCc2cccc(F)c2C1 ZINC000159840121 295382704 /nfs/dbraw/zinc/38/27/04/295382704.db2.gz LUWONYBGFOUHSZ-UHFFFAOYSA-N 1 0 307.413 2.625 20 70 DFIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CCCCC2)n1 ZINC000159853262 295382737 /nfs/dbraw/zinc/38/27/37/295382737.db2.gz DURHSCRHJVHZIH-KRWDZBQOSA-N 1 0 301.434 2.930 20 70 DFIDRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCC[NH+]1CCCCCC1 ZINC000159867278 295383126 /nfs/dbraw/zinc/38/31/26/295383126.db2.gz HTUPWLHVRORCIS-CYBMUJFWSA-N 1 0 306.454 2.512 20 70 DFIDRO CCCCn1ncc(NC(=O)NCC[NH+]2CCC(C)CC2)c1C ZINC000159902169 295383429 /nfs/dbraw/zinc/38/34/29/295383429.db2.gz LLUWGRQYGLNJNI-UHFFFAOYSA-N 1 0 321.469 2.845 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N1CCCCCC1 ZINC000159918465 295383655 /nfs/dbraw/zinc/38/36/55/295383655.db2.gz OAEUAMSYBINDAU-UHFFFAOYSA-N 1 0 309.479 2.799 20 70 DFIDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000159957152 295384517 /nfs/dbraw/zinc/38/45/17/295384517.db2.gz ACFPNZXZUXGWNM-KBPBESRZSA-N 1 0 312.454 2.933 20 70 DFIDRO Cc1ncc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)s1 ZINC000160064709 295386233 /nfs/dbraw/zinc/38/62/33/295386233.db2.gz OTACRDAIKNFPTK-UHFFFAOYSA-N 1 0 318.446 2.932 20 70 DFIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000160109419 295386355 /nfs/dbraw/zinc/38/63/55/295386355.db2.gz FDIMEFNTVQUZSU-CYBMUJFWSA-N 1 0 317.408 2.840 20 70 DFIDRO Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)CO2 ZINC000160132771 295386834 /nfs/dbraw/zinc/38/68/34/295386834.db2.gz KPPJUYGTLLASNV-KNCOVGOOSA-N 1 0 302.418 2.806 20 70 DFIDRO CCCCn1ncc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000160145968 295387347 /nfs/dbraw/zinc/38/73/47/295387347.db2.gz VYEKRUMLNVYPNU-OAHLLOKOSA-N 1 0 319.453 2.694 20 70 DFIDRO C[C@@H]1C[C@@H](NC(=O)N(C)CC(F)F)C[N@@H+]1Cc1ccccc1 ZINC000160195818 295387751 /nfs/dbraw/zinc/38/77/51/295387751.db2.gz BMBNRNHSHYFOJC-TZMCWYRMSA-N 1 0 311.376 2.556 20 70 DFIDRO C[C@H]1CCC[N@H+](CCNC(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC000160259275 295388714 /nfs/dbraw/zinc/38/87/14/295388714.db2.gz SYBWVKLRKZPKFV-ZDUSSCGKSA-N 1 0 317.408 2.698 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1ccc(-n2ccnc2)cc1 ZINC000160470045 295391640 /nfs/dbraw/zinc/39/16/40/295391640.db2.gz LMRBPJMGLRWCRA-JXMROGBWSA-N 1 0 312.417 2.519 20 70 DFIDRO N#Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000160530472 295392587 /nfs/dbraw/zinc/39/25/87/295392587.db2.gz LTQPDSFDFBWUBR-CQSZACIVSA-N 1 0 303.793 2.522 20 70 DFIDRO CS[C@H](C)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000160896822 295396441 /nfs/dbraw/zinc/39/64/41/295396441.db2.gz ZTVCQUWUQQUXSI-KGLIPLIRSA-N 1 0 301.500 2.548 20 70 DFIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000161039183 295397671 /nfs/dbraw/zinc/39/76/71/295397671.db2.gz RAJKUJKDTOXSCG-IRXDYDNUSA-N 1 0 320.433 2.696 20 70 DFIDRO CC(C)(C)OC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000161134732 295399151 /nfs/dbraw/zinc/39/91/51/295399151.db2.gz BFSGUZAWHDRFQQ-UHFFFAOYSA-N 1 0 320.433 2.668 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N(C)CCCOc1ccccc1C ZINC000161188046 295399972 /nfs/dbraw/zinc/39/99/72/295399972.db2.gz AWILGBSSSMGAST-UHFFFAOYSA-N 1 0 306.450 2.987 20 70 DFIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000161495504 295403704 /nfs/dbraw/zinc/40/37/04/295403704.db2.gz SVBVIKNRDTUOOH-VHSXEESVSA-N 1 0 324.368 2.586 20 70 DFIDRO C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000159837833 300366245 /nfs/dbraw/zinc/36/62/45/300366245.db2.gz ZTYSHPYFWHOZKA-WOSRLPQWSA-N 1 0 322.836 2.628 20 70 DFIDRO CC(C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000160051999 519680666 /nfs/dbraw/zinc/68/06/66/519680666.db2.gz QSDSXOMFRWTPQU-UKRRQHHQSA-N 1 0 308.372 2.621 20 70 DFIDRO CC(C)[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000160052394 519680748 /nfs/dbraw/zinc/68/07/48/519680748.db2.gz QSDSXOMFRWTPQU-ZFWWWQNUSA-N 1 0 308.372 2.621 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)n1 ZINC000159653635 519703443 /nfs/dbraw/zinc/70/34/43/519703443.db2.gz SRVSDMBRNOGGID-UHFFFAOYSA-N 1 0 321.469 2.924 20 70 DFIDRO CCC[N@@H+]1CCCN(C(=O)[C@H](C)Oc2cccc(F)c2)CC1 ZINC000160399321 519850557 /nfs/dbraw/zinc/85/05/57/519850557.db2.gz PGTTZGFYMGQSDU-AWEZNQCLSA-N 1 0 308.397 2.537 20 70 DFIDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(CCC(C)C)n2)C1 ZINC000160504576 519864140 /nfs/dbraw/zinc/86/41/40/519864140.db2.gz LLCGUDYMAJGPEX-OAHLLOKOSA-N 1 0 321.469 2.783 20 70 DFIDRO CCCOc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1OC ZINC000159642694 520306891 /nfs/dbraw/zinc/30/68/91/520306891.db2.gz XPJJHPNVXVZZHU-DZGCQCFKSA-N 1 0 320.433 2.570 20 70 DFIDRO COC[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)C1CC1 ZINC000160514625 522750880 /nfs/dbraw/zinc/75/08/80/522750880.db2.gz HKHFNJHULFPNOL-KRWDZBQOSA-N 1 0 303.450 2.833 20 70 DFIDRO COc1cc(O)c(C[N@@H+]2CCS[C@H](C(C)C)C2)cc1OC ZINC000160318914 522778489 /nfs/dbraw/zinc/77/84/89/522778489.db2.gz WMRADIYALDLVQJ-INIZCTEOSA-N 1 0 311.447 2.983 20 70 DFIDRO CCc1c(C(=O)NCC(C)(C)[NH3+])cnn1-c1cccc(Cl)c1 ZINC000159934564 523690963 /nfs/dbraw/zinc/69/09/63/523690963.db2.gz SNQBZHUNEDZHCP-UHFFFAOYSA-N 1 0 320.824 2.555 20 70 DFIDRO CN(C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H](C[NH3+])C1CC1 ZINC000159903742 523888061 /nfs/dbraw/zinc/88/80/61/523888061.db2.gz SRZWYQBAILMPEY-LBPRGKRZSA-N 1 0 301.312 2.906 20 70 DFIDRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCO ZINC000159682939 524591829 /nfs/dbraw/zinc/59/18/29/524591829.db2.gz BDVKIEIYWITDIT-LLVKDONJSA-N 1 0 324.218 2.952 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000160310064 525545837 /nfs/dbraw/zinc/54/58/37/525545837.db2.gz RBWUBYKMUDKSJP-LLVKDONJSA-N 1 0 306.353 2.810 20 70 DFIDRO Cc1ccc([C@H]2CN(C(=O)CC3CC[NH2+]CC3)CCO2)c(C)c1 ZINC000160415637 526016676 /nfs/dbraw/zinc/01/66/76/526016676.db2.gz KMJPDLRGHKNQPI-GOSISDBHSA-N 1 0 316.445 2.593 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3cc(Cl)ccc31)CC2 ZINC000160531282 282126704 /nfs/dbraw/zinc/12/67/04/282126704.db2.gz RGZJLRSLSCLECV-UKRRQHHQSA-N 1 0 302.809 2.832 20 70 DFIDRO c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159550013 186126286 /nfs/dbraw/zinc/12/62/86/186126286.db2.gz KRIQRBATXYPSKJ-KURKYZTESA-N 1 0 309.413 2.920 20 70 DFIDRO COC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159592207 186129832 /nfs/dbraw/zinc/12/98/32/186129832.db2.gz PEIHEIGOPYKJGT-QAPCUYQASA-N 1 0 312.413 2.861 20 70 DFIDRO CCC[C@@H]([NH2+][C@@H](C)CCOC)C(=O)N1CCc2sccc2C1 ZINC000160198598 283380030 /nfs/dbraw/zinc/38/00/30/283380030.db2.gz AQKAFGHWORQBDO-DZGCQCFKSA-N 1 0 324.490 2.816 20 70 DFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000159668327 398966422 /nfs/dbraw/zinc/96/64/22/398966422.db2.gz VSCCBVNPBKHNRS-JSGCOSHPSA-N 1 0 303.362 2.798 20 70 DFIDRO C[C@]1(CNC(=O)CC[C@H]([NH3+])c2ccccc2)CCCC[C@@H]1O ZINC000160838981 398973419 /nfs/dbraw/zinc/97/34/19/398973419.db2.gz XYGRHOHBZDPICC-XYJFISCASA-N 1 0 304.434 2.524 20 70 DFIDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161368965 398975638 /nfs/dbraw/zinc/97/56/38/398975638.db2.gz IXVYVGVYXQJTRV-AWEZNQCLSA-N 1 0 312.373 2.873 20 70 DFIDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCCCO1 ZINC000160875689 284160429 /nfs/dbraw/zinc/16/04/29/284160429.db2.gz FXWWRWVNAQNGRP-IAGOWNOFSA-N 1 0 302.418 2.509 20 70 DFIDRO C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)C1CCOCC1 ZINC000160791273 296159385 /nfs/dbraw/zinc/15/93/85/296159385.db2.gz DEMIYKBOYSLAOD-CRAIPNDOSA-N 1 0 316.445 2.755 20 70 DFIDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCc2ccc(F)cc2F)C1 ZINC000161500635 197500148 /nfs/dbraw/zinc/50/01/48/197500148.db2.gz DOKGVJJLUDGFPC-GJZGRUSLSA-N 1 0 310.388 2.886 20 70 DFIDRO CCCCc1ccc(C(=O)CCC(=O)N2CC[C@H]([NH2+]C)C2)cc1 ZINC000160797840 197440300 /nfs/dbraw/zinc/44/03/00/197440300.db2.gz JCJBRRJHLHWMIF-KRWDZBQOSA-N 1 0 316.445 2.812 20 70 DFIDRO COc1cccc(Cl)c1CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000160644658 197428327 /nfs/dbraw/zinc/42/83/27/197428327.db2.gz QZVYVLUBBCOEJN-DOMZBBRYSA-N 1 0 324.852 2.736 20 70 DFIDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000160561320 197421787 /nfs/dbraw/zinc/42/17/87/197421787.db2.gz SUAOGZCAUNYWQQ-CYBMUJFWSA-N 1 0 307.390 2.950 20 70 DFIDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)[C@H]1CCOC1 ZINC000160523512 197418984 /nfs/dbraw/zinc/41/89/84/197418984.db2.gz PESOUZGOZRXVME-WBVHZDCISA-N 1 0 303.450 2.977 20 70 DFIDRO COCC[NH+]1CCC(CNc2nc(C(F)(F)F)cs2)CC1 ZINC000160577699 197424253 /nfs/dbraw/zinc/42/42/53/197424253.db2.gz HAAPEZWDBYXSDL-UHFFFAOYSA-N 1 0 323.384 2.932 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000160513857 197417927 /nfs/dbraw/zinc/41/79/27/197417927.db2.gz XFGWSAMCRXKAJF-UHFFFAOYSA-N 1 0 320.824 2.773 20 70 DFIDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])c(C)n1Cc1ccccc1 ZINC000160246083 197395035 /nfs/dbraw/zinc/39/50/35/197395035.db2.gz JVSYOGPEIAQJDZ-KRWDZBQOSA-N 1 0 311.429 2.717 20 70 DFIDRO CN(Cc1cc(F)cc(Br)c1)[C@H](C[NH3+])C1CC1 ZINC000160146975 197389266 /nfs/dbraw/zinc/38/92/66/197389266.db2.gz ZCZFVLJQRDUBHO-CYBMUJFWSA-N 1 0 301.203 2.757 20 70 DFIDRO Cc1csc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000160075119 197383613 /nfs/dbraw/zinc/38/36/13/197383613.db2.gz LSJWUIHRFNNTEU-UHFFFAOYSA-N 1 0 324.494 2.715 20 70 DFIDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000160055324 197382429 /nfs/dbraw/zinc/38/24/29/197382429.db2.gz FYAVAMBAUDOEHV-RHSMWYFYSA-N 1 0 324.490 2.726 20 70 DFIDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000160137980 197388842 /nfs/dbraw/zinc/38/88/42/197388842.db2.gz XCIHXAQXORLAQW-INIZCTEOSA-N 1 0 322.474 2.634 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)NCCOc1cccc(C(C)(C)C)c1 ZINC000160108766 197386444 /nfs/dbraw/zinc/38/64/44/197386444.db2.gz VVIPQLOQEJUSPN-HNNXBMFYSA-N 1 0 324.490 2.560 20 70 DFIDRO Cc1nc(CCNC(=O)[C@@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)sc1C ZINC000160093769 197385515 /nfs/dbraw/zinc/38/55/15/197385515.db2.gz YTLLVUYFQOCMRI-GMXVVIOVSA-N 1 0 309.479 2.680 20 70 DFIDRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000160007397 197379461 /nfs/dbraw/zinc/37/94/61/197379461.db2.gz AFPXGGZLHBUUKY-QGZVFWFLSA-N 1 0 322.449 2.639 20 70 DFIDRO C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cnccn1 ZINC000159991003 197378875 /nfs/dbraw/zinc/37/88/75/197378875.db2.gz BUHQIBLWDPLARP-GFCCVEGCSA-N 1 0 316.371 2.792 20 70 DFIDRO CCOc1ccc(-c2nc(C(=O)NCC(C)(C)[NH3+])cs2)cc1 ZINC000159934699 197374672 /nfs/dbraw/zinc/37/46/72/197374672.db2.gz XADWBSZHTBCYNO-UHFFFAOYSA-N 1 0 319.430 2.676 20 70 DFIDRO CCCn1ccc2ccc(NC(=O)C3(OC)CC[NH2+]CC3)cc21 ZINC000159853842 197368712 /nfs/dbraw/zinc/36/87/12/197368712.db2.gz AFVZPAJKSYOXLN-UHFFFAOYSA-N 1 0 315.417 2.758 20 70 DFIDRO CCC[C@@H](C(=O)Nc1nc(CN2CCCCC2)cs1)[NH+](C)C ZINC000159493352 197358169 /nfs/dbraw/zinc/35/81/69/197358169.db2.gz VNNXLVZEPIOSQX-AWEZNQCLSA-N 1 0 324.494 2.798 20 70 DFIDRO c1cn(-c2ccc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)cn1 ZINC000159537996 197360358 /nfs/dbraw/zinc/36/03/58/197360358.db2.gz AJAWYBQMQLAQAH-BZSNNMDCSA-N 1 0 309.413 2.920 20 70 DFIDRO C[NH+](C)C[C@@H](NC(=O)NC[C@]1(C)CCCS1)c1ccccc1 ZINC000159442358 197354596 /nfs/dbraw/zinc/35/45/96/197354596.db2.gz PALQLQWVZPWOLY-WBVHZDCISA-N 1 0 321.490 2.874 20 70 DFIDRO COC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1)C(C)C ZINC000161025864 197458334 /nfs/dbraw/zinc/45/83/34/197458334.db2.gz CWSDSPDWDSJRON-GOSISDBHSA-N 1 0 318.461 2.860 20 70 DFIDRO Cc1nccc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)c1Cl ZINC000159801983 542719420 /nfs/dbraw/zinc/71/94/20/542719420.db2.gz MXTVZEJXRMMNCY-NSHDSACASA-N 1 0 310.829 2.897 20 70 DFIDRO Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000160226164 542721911 /nfs/dbraw/zinc/72/19/11/542721911.db2.gz RDZIOFNWZIGOGQ-VFZGTOFNSA-N 1 0 321.808 2.692 20 70 DFIDRO CC(C)OCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000160210291 542722198 /nfs/dbraw/zinc/72/21/98/542722198.db2.gz HPMCVYXEHLADIY-NSHDSACASA-N 1 0 322.232 2.748 20 70 DFIDRO C[C@@H](CC(=O)N1C[C@H](C)Oc2cc(F)ccc21)C1CC[NH2+]CC1 ZINC000161104299 542727183 /nfs/dbraw/zinc/72/71/83/542727183.db2.gz VAXPJPMEZBWTFM-STQMWFEESA-N 1 0 320.408 2.965 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc3ccc(Cl)cc3n2)C1 ZINC000161194724 542727815 /nfs/dbraw/zinc/72/78/15/542727815.db2.gz XJKPJXYVVXNIAT-CHWSQXEVSA-N 1 0 303.793 2.888 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)C1 ZINC000161313709 542728595 /nfs/dbraw/zinc/72/85/95/542728595.db2.gz BZDMOYQGDIQKIO-GHMZBOCLSA-N 1 0 318.808 2.730 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(Oc3ccccc3)nc2)C1 ZINC000161440483 542729206 /nfs/dbraw/zinc/72/92/06/542729206.db2.gz FTUXRIBENJEYCE-GJZGRUSLSA-N 1 0 311.385 2.874 20 70 DFIDRO CCC[NH+]1CCC([NH2+]CCc2cc(OC)ccc2OC)CC1 ZINC000161410980 542729939 /nfs/dbraw/zinc/72/99/39/542729939.db2.gz CHDIFHXIGVIMMV-UHFFFAOYSA-N 1 0 306.450 2.710 20 70 DFIDRO CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160786044 542724737 /nfs/dbraw/zinc/72/47/37/542724737.db2.gz LOZDDCBJSCFODE-OBJOEFQTSA-N 1 0 310.825 2.884 20 70 DFIDRO Cc1c(Br)cccc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160891001 542725397 /nfs/dbraw/zinc/72/53/97/542725397.db2.gz GEKPNZLZKZSRNR-GHMZBOCLSA-N 1 0 311.223 2.757 20 70 DFIDRO COc1ccc2cc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c(C)nc2c1 ZINC000160909327 542725585 /nfs/dbraw/zinc/72/55/85/542725585.db2.gz SEAADBJDHTXVGB-KGLIPLIRSA-N 1 0 313.401 2.552 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000161060321 542726766 /nfs/dbraw/zinc/72/67/66/542726766.db2.gz DHQOWZHGXQXTDH-ZIAGYGMSSA-N 1 0 318.808 2.525 20 70 DFIDRO O[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1)C(F)(F)F ZINC000217831810 542878176 /nfs/dbraw/zinc/87/81/76/542878176.db2.gz XSOAPKGJQQJKSA-VIFPVBQESA-N 1 0 316.092 2.601 20 70 DFIDRO CC[C@H](CCO)[NH2+]Cc1ccc(I)cc1 ZINC000217851049 146000345 /nfs/dbraw/zinc/00/03/45/146000345.db2.gz VCPBDNPNQWSRPY-GFCCVEGCSA-N 1 0 319.186 2.542 20 70 DFIDRO CC[C@@](C)(O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000161064585 267543199 /nfs/dbraw/zinc/54/31/99/267543199.db2.gz MIELIUGJURMCBJ-LJQANCHMSA-N 1 0 302.462 2.922 20 70 DFIDRO CCn1ccnc1C[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000217809609 268139724 /nfs/dbraw/zinc/13/97/24/268139724.db2.gz YCVMDASJEBKDCT-CYBMUJFWSA-N 1 0 310.442 2.542 20 70 DFIDRO CN1CCC([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000218094604 268139800 /nfs/dbraw/zinc/13/98/00/268139800.db2.gz ZKKMFADOKIAIGW-UHFFFAOYSA-N 1 0 311.470 2.506 20 70 DFIDRO CC[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160365532 425980494 /nfs/dbraw/zinc/98/04/94/425980494.db2.gz UNIPZXKZKJUATM-FUHWJXTLSA-N 1 0 318.461 2.533 20 70 DFIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cccc(OC)c1 ZINC000160353356 425981015 /nfs/dbraw/zinc/98/10/15/425981015.db2.gz VRMOHRMMTFUXPP-ZBFHGGJFSA-N 1 0 300.406 2.651 20 70 DFIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C(C)(C)COC ZINC000160423847 425981367 /nfs/dbraw/zinc/98/13/67/425981367.db2.gz RFCBRTGIMAEVKR-UHFFFAOYSA-N 1 0 306.450 2.817 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(s1)CCOC2 ZINC000160407519 425981662 /nfs/dbraw/zinc/98/16/62/425981662.db2.gz XLBKNEATKSSRKI-CQSZACIVSA-N 1 0 322.474 2.671 20 70 DFIDRO Cc1cccc(C)c1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000160415269 425982342 /nfs/dbraw/zinc/98/23/42/425982342.db2.gz URDDLWMXGJDSNI-AWEZNQCLSA-N 1 0 318.442 2.802 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(OC(F)F)c1)CC2 ZINC000160419959 425982359 /nfs/dbraw/zinc/98/23/59/425982359.db2.gz NVUXVCRGEYBJOO-ZWNOBZJWSA-N 1 0 322.359 2.854 20 70 DFIDRO COc1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000160479484 425983737 /nfs/dbraw/zinc/98/37/37/425983737.db2.gz XXQFDFKHSOFGDL-UHFFFAOYSA-N 1 0 324.852 2.645 20 70 DFIDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)[C@@H]1CCOC1 ZINC000160472856 425984439 /nfs/dbraw/zinc/98/44/39/425984439.db2.gz BIWJXQXIICMEKV-NVXWUHKLSA-N 1 0 303.450 2.833 20 70 DFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000160527414 425984839 /nfs/dbraw/zinc/98/48/39/425984839.db2.gz HQFHDAAZRFZWRV-NEPJUHHUSA-N 1 0 317.364 2.567 20 70 DFIDRO CCOC(=O)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000160523630 425985120 /nfs/dbraw/zinc/98/51/20/425985120.db2.gz CGAIITWBIXWANS-RHSMWYFYSA-N 1 0 320.433 2.527 20 70 DFIDRO COc1ccc(OC)c(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000160537668 425986639 /nfs/dbraw/zinc/98/66/39/425986639.db2.gz IRCZRTZWVMEABU-UHFFFAOYSA-N 1 0 301.390 2.807 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1cnn(-c2ccccc2F)c1C ZINC000160533009 425986824 /nfs/dbraw/zinc/98/68/24/425986824.db2.gz MTHJQBKVPAYGAB-UHFFFAOYSA-N 1 0 318.396 2.567 20 70 DFIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2cnn(CC)c2)c1 ZINC000160562954 425987509 /nfs/dbraw/zinc/98/75/09/425987509.db2.gz KWZNMFCCCMPAAU-CQSZACIVSA-N 1 0 314.433 2.894 20 70 DFIDRO CCC[C@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)ncn2)C1 ZINC000160588499 425989167 /nfs/dbraw/zinc/98/91/67/425989167.db2.gz IMGLZCJUVHCRKI-HOTGVXAUSA-N 1 0 318.465 2.702 20 70 DFIDRO O=C(C[C@@H]1CCC[NH2+]1)NC1(c2cccc(Br)c2)CC1 ZINC000160636797 425990764 /nfs/dbraw/zinc/99/07/64/425990764.db2.gz NLNDKTZZYSZRTL-ZDUSSCGKSA-N 1 0 323.234 2.697 20 70 DFIDRO Cc1nc(Cl)ccc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000160676832 425992552 /nfs/dbraw/zinc/99/25/52/425992552.db2.gz MXSPQAWGGWZNRM-UHFFFAOYSA-N 1 0 317.820 2.905 20 70 DFIDRO CCC(CC)n1nccc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000160690980 425992635 /nfs/dbraw/zinc/99/26/35/425992635.db2.gz KJDJAYTZCWAWCD-UHFFFAOYSA-N 1 0 306.454 2.847 20 70 DFIDRO CC[C@H]([NH2+]CCNC(=O)c1cccnc1)c1ccc(F)cc1 ZINC000160757252 425995597 /nfs/dbraw/zinc/99/55/97/425995597.db2.gz OOUFMFRVTBVMGV-INIZCTEOSA-N 1 0 301.365 2.691 20 70 DFIDRO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160805018 425996632 /nfs/dbraw/zinc/99/66/32/425996632.db2.gz SIXJHOLJBFQQDF-FSNPWBFUSA-N 1 0 322.493 2.506 20 70 DFIDRO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160863900 425998568 /nfs/dbraw/zinc/99/85/68/425998568.db2.gz OTJKRHLJUBHHSK-LSDHHAIUSA-N 1 0 314.433 2.778 20 70 DFIDRO C[C@H]([NH2+]CCOc1ccccc1Br)[C@@H]1CCOC1 ZINC000160905386 426000761 /nfs/dbraw/zinc/00/07/61/426000761.db2.gz VWTOOUVNDZQJSC-NWDGAFQWSA-N 1 0 314.223 2.843 20 70 DFIDRO Cc1ccc(C(=O)CC[NH2+][C@]2(CO)CCc3ccccc32)cc1 ZINC000160896126 426000785 /nfs/dbraw/zinc/00/07/85/426000785.db2.gz MVYXSNQHXFHNLD-FQEVSTJZSA-N 1 0 309.409 2.991 20 70 DFIDRO Cc1nn(C)cc1C[NH2+]CCc1ccc(Br)s1 ZINC000160953985 426003069 /nfs/dbraw/zinc/00/30/69/426003069.db2.gz VQODMMKUMFLVGO-UHFFFAOYSA-N 1 0 314.252 2.885 20 70 DFIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cnccn3)CC2)cc1 ZINC000160993309 426004442 /nfs/dbraw/zinc/00/44/42/426004442.db2.gz YZYQWZLNCKSXAK-HNNXBMFYSA-N 1 0 324.428 2.740 20 70 DFIDRO CC[C@H](COC)[NH2+]C1CCN(c2cc(OC)cc(OC)c2)CC1 ZINC000160992808 426004817 /nfs/dbraw/zinc/00/48/17/426004817.db2.gz JNNJFZKXJHHIJR-CQSZACIVSA-N 1 0 322.449 2.687 20 70 DFIDRO O=C(N1CC[NH2+]CC1)C1(c2cccc(Cl)c2)CCCCC1 ZINC000159382162 425958973 /nfs/dbraw/zinc/95/89/73/425958973.db2.gz SESBTVFPXODNSS-UHFFFAOYSA-N 1 0 306.837 2.974 20 70 DFIDRO COCCN(C)CC[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000159367806 425959691 /nfs/dbraw/zinc/95/96/91/425959691.db2.gz DZBRWICCKLMTCN-KGLIPLIRSA-N 1 0 321.490 2.956 20 70 DFIDRO O=C(/C=C/c1nc2ccccc2s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159412658 425960027 /nfs/dbraw/zinc/96/00/27/425960027.db2.gz NMXKALPXHHRPPP-UVHIWXSVSA-N 1 0 313.426 2.662 20 70 DFIDRO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000159441309 425960606 /nfs/dbraw/zinc/96/06/06/425960606.db2.gz JQLWVNGTSZVPFQ-OAHLLOKOSA-N 1 0 324.432 2.634 20 70 DFIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000159425328 425961048 /nfs/dbraw/zinc/96/10/48/425961048.db2.gz APZBZQPCBXFQLV-RHSMWYFYSA-N 1 0 317.437 2.500 20 70 DFIDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159542759 425961593 /nfs/dbraw/zinc/96/15/93/425961593.db2.gz LNCILQWMOYXWHU-ZBFHGGJFSA-N 1 0 310.482 2.506 20 70 DFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000159666132 425964952 /nfs/dbraw/zinc/96/49/52/425964952.db2.gz NYPQIKPNHXGJPA-JQWIXIFHSA-N 1 0 316.323 2.671 20 70 DFIDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000159692605 425965800 /nfs/dbraw/zinc/96/58/00/425965800.db2.gz BINISKQESSZWHQ-MRXNPFEDSA-N 1 0 313.357 2.594 20 70 DFIDRO CCOCCC[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000159659060 425965873 /nfs/dbraw/zinc/96/58/73/425965873.db2.gz ZNBGYSSNJMMGCH-UHFFFAOYSA-N 1 0 316.445 2.714 20 70 DFIDRO CCOCCC[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000159754448 425967093 /nfs/dbraw/zinc/96/70/93/425967093.db2.gz KPUQSXVARGVNSZ-UHFFFAOYSA-N 1 0 324.490 2.545 20 70 DFIDRO CC(C)[C@H](C)NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000159723915 425967141 /nfs/dbraw/zinc/96/71/41/425967141.db2.gz DWKYHZQFJZKYNL-HNNXBMFYSA-N 1 0 318.465 2.984 20 70 DFIDRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2F)o1 ZINC000159856271 425968806 /nfs/dbraw/zinc/96/88/06/425968806.db2.gz XPACWNYHCKNEQH-GFCCVEGCSA-N 1 0 317.364 2.711 20 70 DFIDRO CC[C@@H]([NH2+]C[C@@H](C)N1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000159827607 425969004 /nfs/dbraw/zinc/96/90/04/425969004.db2.gz LKTJKOAEOJLARB-ATZDWAIDSA-N 1 0 302.462 2.838 20 70 DFIDRO C[C@@H]1C[C@@H](NC(=O)N2CCc3cccc(F)c3C2)C[N@@H+]1C1CC1 ZINC000159853722 425969364 /nfs/dbraw/zinc/96/93/64/425969364.db2.gz HSADCIVJNXUMCV-TZMCWYRMSA-N 1 0 317.408 2.519 20 70 DFIDRO CCC[C@@H](C(=O)N1CCC(Oc2ccc(F)cc2)CC1)[NH+](C)C ZINC000159917692 425969974 /nfs/dbraw/zinc/96/99/74/425969974.db2.gz ONIHFDGORWHKSY-KRWDZBQOSA-N 1 0 322.424 2.926 20 70 DFIDRO CC[NH+]=C(NCC(C)(C)c1cccs1)N[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000159916552 425970952 /nfs/dbraw/zinc/97/09/52/425970952.db2.gz HHFOZIWEQTZUGQ-RDBSUJKOSA-N 1 0 321.490 2.901 20 70 DFIDRO CCOCCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000159952834 425971363 /nfs/dbraw/zinc/97/13/63/425971363.db2.gz AJFVCLVKPRFJTJ-UHFFFAOYSA-N 1 0 324.428 2.655 20 70 DFIDRO CC[C@H](C)c1ccc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000159965115 425971575 /nfs/dbraw/zinc/97/15/75/425971575.db2.gz KSWFKWBJFSVZSL-LRDDRELGSA-N 1 0 310.463 2.558 20 70 DFIDRO Cc1cc(O[C@H](C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000160011950 425973424 /nfs/dbraw/zinc/97/34/24/425973424.db2.gz YQJRMZKPCUZNBO-MCIONIFRSA-N 1 0 322.836 2.769 20 70 DFIDRO C[NH+]=C(NCc1cccs1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000160074759 425973673 /nfs/dbraw/zinc/97/36/73/425973673.db2.gz LPNVLAHATQPYKI-UKRRQHHQSA-N 1 0 317.462 2.603 20 70 DFIDRO CC[C@@H](C)N(C)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000160101471 425974323 /nfs/dbraw/zinc/97/43/23/425974323.db2.gz JQBUJBFJGLMUSE-MRXNPFEDSA-N 1 0 319.493 2.984 20 70 DFIDRO CCn1cnnc1C1CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC000160147177 425975278 /nfs/dbraw/zinc/97/52/78/425975278.db2.gz LUVQCZJEERCHBC-UHFFFAOYSA-N 1 0 324.432 2.634 20 70 DFIDRO CC(C)C[C@@H](C)S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160137701 425975771 /nfs/dbraw/zinc/97/57/71/425975771.db2.gz IFUVUFKEGNYYHX-CVEARBPZSA-N 1 0 316.511 2.701 20 70 DFIDRO COC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000160203141 425975977 /nfs/dbraw/zinc/97/59/77/425975977.db2.gz WFEJBVMQTFVECF-DOTOQJQBSA-N 1 0 317.408 2.681 20 70 DFIDRO CCOC[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160176446 425976342 /nfs/dbraw/zinc/97/63/42/425976342.db2.gz GXQRKUXHIVKLFN-DZGCQCFKSA-N 1 0 305.397 2.681 20 70 DFIDRO CC[C@@H](COC)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000160188412 425976469 /nfs/dbraw/zinc/97/64/69/425976469.db2.gz ACSMLQMWIGDLRC-GJZGRUSLSA-N 1 0 305.397 2.681 20 70 DFIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)NC2CCCC2)n1 ZINC000160184778 425976519 /nfs/dbraw/zinc/97/65/19/425976519.db2.gz OBOYGHSCYIWZBE-KRWDZBQOSA-N 1 0 301.434 2.976 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1c3cccc(F)c3CC[C@@H]1C)CC2 ZINC000160322816 425978935 /nfs/dbraw/zinc/97/89/35/425978935.db2.gz ABBZHKZDEXEPNE-SRBZOADZSA-N 1 0 314.408 2.954 20 70 DFIDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCC1CCCC1 ZINC000160350064 425979162 /nfs/dbraw/zinc/97/91/62/425979162.db2.gz GBJQJYWHGOTPLB-ZDUSSCGKSA-N 1 0 310.463 2.907 20 70 DFIDRO CCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)s1 ZINC000160315782 425979659 /nfs/dbraw/zinc/97/96/59/425979659.db2.gz HPMBPQYNWUXGSB-BXKDBHETSA-N 1 0 305.451 2.579 20 70 DFIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cc(F)ccc1F ZINC000160387409 425980182 /nfs/dbraw/zinc/98/01/82/425980182.db2.gz HPKNLQAZHJKKQT-DOMZBBRYSA-N 1 0 306.360 2.920 20 70 DFIDRO CCC[N@@H+](Cc1ccc(CO)o1)C[C@H]1COc2ccccc2O1 ZINC000161421443 426022948 /nfs/dbraw/zinc/02/29/48/426022948.db2.gz HLKCOLYICCJQKM-INIZCTEOSA-N 1 0 317.385 2.824 20 70 DFIDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCCCO1 ZINC000161416292 426022954 /nfs/dbraw/zinc/02/29/54/426022954.db2.gz FCCAICBOHMLVQF-IAGOWNOFSA-N 1 0 302.418 2.509 20 70 DFIDRO CO[C@@H](CNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1cccc(Cl)c1 ZINC000161408397 426023064 /nfs/dbraw/zinc/02/30/64/426023064.db2.gz RXYDRUOTADHSGI-IVCRCZCHSA-N 1 0 322.836 2.517 20 70 DFIDRO CCc1nc(CC[NH2+]C2CCC(NC(C)=O)CC2)sc1C ZINC000161408303 426023213 /nfs/dbraw/zinc/02/32/13/426023213.db2.gz DNVRQEXWZUCFHG-UHFFFAOYSA-N 1 0 309.479 2.593 20 70 DFIDRO C[C@@H]1CC[C@H](C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)O1 ZINC000161452382 426024238 /nfs/dbraw/zinc/02/42/38/426024238.db2.gz JXPMBWMQGWIOQO-RDHHWEPZSA-N 1 0 308.466 2.713 20 70 DFIDRO C[C@H]1C[C@@H](NC(=O)NC2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000161432237 426024423 /nfs/dbraw/zinc/02/44/23/426024423.db2.gz WVSGTYWPQBNKBI-WMLDXEAASA-N 1 0 301.434 2.891 20 70 DFIDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCc2ccc(F)cc2F)C1 ZINC000161500765 426026674 /nfs/dbraw/zinc/02/66/74/426026674.db2.gz DOKGVJJLUDGFPC-HUUCEWRRSA-N 1 0 310.388 2.886 20 70 DFIDRO CC[N@H+](CCNC(=O)Nc1cnn(CCC(C)C)c1C)C1CC1 ZINC000161507367 426027886 /nfs/dbraw/zinc/02/78/86/426027886.db2.gz YBNMTHKLTJAKQB-UHFFFAOYSA-N 1 0 321.469 2.843 20 70 DFIDRO Nc1nc(-n2cccn2)cc(N[C@H]2CCCc3sccc32)[nH+]1 ZINC000161049583 426006566 /nfs/dbraw/zinc/00/65/66/426006566.db2.gz JOUCRRLRPZKCOP-NSHDSACASA-N 1 0 312.402 2.796 20 70 DFIDRO CC[NH+](CC)[C@H](CNC(=O)C1(CCOC)CC1)c1ccco1 ZINC000161037557 426006793 /nfs/dbraw/zinc/00/67/93/426006793.db2.gz CBPNORMGLDYSQS-CQSZACIVSA-N 1 0 308.422 2.595 20 70 DFIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000161061827 426007637 /nfs/dbraw/zinc/00/76/37/426007637.db2.gz WFEBLLZMBLGDBH-GRDNDAEWSA-N 1 0 304.434 2.730 20 70 DFIDRO CC(C)[NH+](CCSCC(=O)Nc1nccs1)C(C)C ZINC000161065178 426007867 /nfs/dbraw/zinc/00/78/67/426007867.db2.gz BZSIFYWBDCTMCA-UHFFFAOYSA-N 1 0 301.481 2.934 20 70 DFIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccc(Cl)c(OC)c1 ZINC000161083138 426008213 /nfs/dbraw/zinc/00/82/13/426008213.db2.gz DWDVTHYUTWDSEJ-CQSZACIVSA-N 1 0 324.852 2.882 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000161095003 426008858 /nfs/dbraw/zinc/00/88/58/426008858.db2.gz OSLGNEUCTZPYKV-JKSUJKDBSA-N 1 0 322.399 2.916 20 70 DFIDRO COc1ccc(Br)cc1C[NH2+]C(C)(C)[C@H](C)O ZINC000161132011 426010264 /nfs/dbraw/zinc/01/02/64/426010264.db2.gz HBTOAIAKTUNVCM-VIFPVBQESA-N 1 0 302.212 2.707 20 70 DFIDRO CC[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161162867 426010826 /nfs/dbraw/zinc/01/08/26/426010826.db2.gz YVGUXNGGCMDFHH-BFHYXJOUSA-N 1 0 303.324 2.584 20 70 DFIDRO CCC[N@H+](CCO)Cc1cn(C)nc1-c1ccccc1Cl ZINC000161210692 426013532 /nfs/dbraw/zinc/01/35/32/426013532.db2.gz HZFORCZDADQCFK-UHFFFAOYSA-N 1 0 307.825 2.945 20 70 DFIDRO COc1cccc(Cl)c1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000161226632 426013863 /nfs/dbraw/zinc/01/38/63/426013863.db2.gz DJFKMAJBJFXRNK-AAEUAGOBSA-N 1 0 310.825 2.807 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000161258036 426014769 /nfs/dbraw/zinc/01/47/69/426014769.db2.gz PQQRYCPIRFQCFW-ZIAGYGMSSA-N 1 0 314.351 2.933 20 70 DFIDRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000161252016 426015055 /nfs/dbraw/zinc/01/50/55/426015055.db2.gz NTGIZQXHUZFYLC-RBSFLKMASA-N 1 0 314.470 2.940 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000161255141 426015075 /nfs/dbraw/zinc/01/50/75/426015075.db2.gz VYNLVZFEVKTGJP-GXFFZTMASA-N 1 0 311.223 2.567 20 70 DFIDRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCOC1 ZINC000161258452 426015367 /nfs/dbraw/zinc/01/53/67/426015367.db2.gz JCWWKPGOZWSLKE-KGLIPLIRSA-N 1 0 300.443 2.694 20 70 DFIDRO CCOC(=O)[C@@H]1CCCCN1CC1=Cc2ccccc2OC1 ZINC000161261640 426016599 /nfs/dbraw/zinc/01/65/99/426016599.db2.gz OSUGTEPVTOKTJE-INIZCTEOSA-N 1 0 301.386 2.880 20 70 DFIDRO CCn1cnnc1[C@H]1CCC[N@H+](CCOc2cccc(C)c2)C1 ZINC000161327951 426018369 /nfs/dbraw/zinc/01/83/69/426018369.db2.gz XIBGEZNNVSYJKX-INIZCTEOSA-N 1 0 314.433 2.865 20 70 DFIDRO CC[C@H](C(=O)Nc1cccc(Oc2cccnn2)c1)[NH+](C)C ZINC000161303728 426018825 /nfs/dbraw/zinc/01/88/25/426018825.db2.gz FFGCEZPCQPCOLB-CQSZACIVSA-N 1 0 300.362 2.548 20 70 DFIDRO CCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000161332496 426019938 /nfs/dbraw/zinc/01/99/38/426019938.db2.gz JAEPDRJXNTZMHO-AAEUAGOBSA-N 1 0 321.339 2.676 20 70 DFIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCC[C@H]3C)c2c1 ZINC000161333303 426020150 /nfs/dbraw/zinc/02/01/50/426020150.db2.gz YRLRJDDVIIQHSK-LLVKDONJSA-N 1 0 300.358 2.622 20 70 DFIDRO CC[C@@H](C(=O)N1CCO[C@@H](c2ccc(C)cc2C)C1)[NH+](C)C ZINC000161385515 426022341 /nfs/dbraw/zinc/02/23/41/426022341.db2.gz NOXCEBVPYMWVIP-DLBZAZTESA-N 1 0 304.434 2.544 20 70 DFIDRO CC[N@H+](C)CCNC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000160146272 276305611 /nfs/dbraw/zinc/30/56/11/276305611.db2.gz RXVMJXUXDQXYHI-GFCCVEGCSA-N 1 0 316.367 2.952 20 70 DFIDRO CCc1nc2c(s1)[C@H]([NH2+]CCCN1CCCC1=O)CCC2 ZINC000159525152 276701964 /nfs/dbraw/zinc/70/19/64/276701964.db2.gz JBJCONHXFWDVHX-GFCCVEGCSA-N 1 0 307.463 2.685 20 70 DFIDRO CC(C)c1c(C(=O)NCC(C)(C)[NH3+])cnn1-c1ccc(F)cc1 ZINC000160020117 278004784 /nfs/dbraw/zinc/00/47/84/278004784.db2.gz JMVPFULAJVMHIC-UHFFFAOYSA-N 1 0 318.396 2.602 20 70 DFIDRO CSCC[C@H]([NH3+])C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159808074 278132482 /nfs/dbraw/zinc/13/24/82/278132482.db2.gz ZRISCUMWSSEOQJ-JSGCOSHPSA-N 1 0 312.866 2.736 20 70 DFIDRO C[C@@H]1SCCN(C(=O)C[NH2+]CC2CC2)[C@@H]1c1ccccc1 ZINC000159681437 279070996 /nfs/dbraw/zinc/07/09/96/279070996.db2.gz DITKWHCSJZHCSC-GUYCJALGSA-N 1 0 304.459 2.691 20 70 DFIDRO C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C[C@@H](C)O1 ZINC000159424894 295376349 /nfs/dbraw/zinc/37/63/49/295376349.db2.gz FFPCFGZHHTTYBZ-JOCBIADPSA-N 1 0 322.493 2.818 20 70 DFIDRO C[S@](=O)C[C@@H]([NH2+]Cc1cnc2ccccn12)c1ccccc1 ZINC000159592889 295378744 /nfs/dbraw/zinc/37/87/44/295378744.db2.gz WTYKIUFLYMEPDI-OPAMFIHVSA-N 1 0 313.426 2.544 20 70 DFIDRO CCC(CC)(C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000159663801 295379881 /nfs/dbraw/zinc/37/98/81/295379881.db2.gz IBQQGOCTYFFRSV-UHFFFAOYSA-N 1 0 308.378 2.972 20 70 DFIDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCC(C)(C)O ZINC000159727038 295380717 /nfs/dbraw/zinc/38/07/17/295380717.db2.gz OMBBAPUWWWHJKI-SECBINFHSA-N 1 0 307.360 2.874 20 70 DFIDRO CCCCn1ncc(NC(=O)NC2CC[NH+](CCC)CC2)c1C ZINC000159794378 295381512 /nfs/dbraw/zinc/38/15/12/295381512.db2.gz OZQGHTBOTWZJRP-UHFFFAOYSA-N 1 0 321.469 2.988 20 70 DFIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC000159769946 295381643 /nfs/dbraw/zinc/38/16/43/295381643.db2.gz FBZVCYJJFKACEM-OAHLLOKOSA-N 1 0 313.401 2.946 20 70 DFIDRO CCOc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2C)cc1OC ZINC000159823912 295382176 /nfs/dbraw/zinc/38/21/76/295382176.db2.gz FNAJOJNSXRNEMB-LBPRGKRZSA-N 1 0 303.406 2.987 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N1CCC[C@@H](C)C1 ZINC000159876707 295382906 /nfs/dbraw/zinc/38/29/06/295382906.db2.gz SWFIFJQVBKPJRH-CQSZACIVSA-N 1 0 309.479 2.655 20 70 DFIDRO COCc1ccccc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000159895266 295383667 /nfs/dbraw/zinc/38/36/67/295383667.db2.gz FOYVWOUXNRSDEO-UHFFFAOYSA-N 1 0 312.413 2.825 20 70 DFIDRO CC(C)[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)C1CCCCC1 ZINC000160120850 295387030 /nfs/dbraw/zinc/38/70/30/295387030.db2.gz ZWBOPPJVVIGYHT-UHFFFAOYSA-N 1 0 321.465 2.894 20 70 DFIDRO CCCCn1ncc(NC(=O)N2CC[C@@H]([NH+](CC)CC)C2)c1C ZINC000160259001 295388985 /nfs/dbraw/zinc/38/89/85/295388985.db2.gz QCWCSCUMSMQOJI-OAHLLOKOSA-N 1 0 321.469 2.940 20 70 DFIDRO Cc1cccc2[nH]c(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)nc21 ZINC000160315677 295390037 /nfs/dbraw/zinc/39/00/37/295390037.db2.gz VXLDEVDWXBZTFO-CQSZACIVSA-N 1 0 314.433 2.752 20 70 DFIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C1CCCCC1)N(C)C ZINC000160416412 295390690 /nfs/dbraw/zinc/39/06/90/295390690.db2.gz VQCIDCFLAMKIPS-DOTOQJQBSA-N 1 0 311.514 2.734 20 70 DFIDRO CC(=O)Nc1ccccc1C[NH2+]CCOc1ccc(C#N)cc1 ZINC000160488561 295392141 /nfs/dbraw/zinc/39/21/41/295392141.db2.gz WOXCGZYSMINTRD-UHFFFAOYSA-N 1 0 309.369 2.685 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(F)c(F)c1 ZINC000160548780 295392592 /nfs/dbraw/zinc/39/25/92/295392592.db2.gz HBKPCJWVXBLQES-CQSZACIVSA-N 1 0 310.388 2.744 20 70 DFIDRO CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160582341 295392930 /nfs/dbraw/zinc/39/29/30/295392930.db2.gz UFDYPBSFWHLSGY-KTMLPXRHSA-N 1 0 302.418 2.697 20 70 DFIDRO N#Cc1cc(C[N@H+](CCC(N)=O)Cc2ccccc2)ccc1F ZINC000160600592 295393321 /nfs/dbraw/zinc/39/33/21/295393321.db2.gz SFMZGFQBJQJTAA-UHFFFAOYSA-N 1 0 311.360 2.575 20 70 DFIDRO C[N@H+](CC(=O)N[C@H]1CC(C)(C)c2ccccc21)[C@@H]1CCSC1 ZINC000160635423 295393701 /nfs/dbraw/zinc/39/37/01/295393701.db2.gz XCYRILYEGITVSL-CJNGLKHVSA-N 1 0 318.486 2.963 20 70 DFIDRO C[N@H+](CC(=O)NCC(C)(C)Cc1ccccc1)[C@H]1CCSC1 ZINC000160910975 295396200 /nfs/dbraw/zinc/39/62/00/295396200.db2.gz MCFAVBARMMJKCB-INIZCTEOSA-N 1 0 320.502 2.809 20 70 DFIDRO CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)[C@H](C)[NH3+])cc1 ZINC000161031314 295397629 /nfs/dbraw/zinc/39/76/29/295397629.db2.gz DUJLAOPPDOXSLH-JQFCIGGWSA-N 1 0 320.433 2.629 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000161196875 295399883 /nfs/dbraw/zinc/39/98/83/295399883.db2.gz DCVZIQZLQQUZMX-UHFFFAOYSA-N 1 0 322.449 2.518 20 70 DFIDRO C=C(Cl)C[NH2+][C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000161002123 332177618 /nfs/dbraw/zinc/17/76/18/332177618.db2.gz XGWNMFJQIUVEJB-CHWSQXEVSA-N 1 0 318.845 2.743 20 70 DFIDRO C=C(Cl)C[NH2+][C@@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000161002218 332178816 /nfs/dbraw/zinc/17/88/16/332178816.db2.gz XGWNMFJQIUVEJB-STQMWFEESA-N 1 0 318.845 2.743 20 70 DFIDRO C[NH+]=C(NC[C@@H](C)SC)N1CCC(OC(C)(C)C)CC1 ZINC000159563680 332621321 /nfs/dbraw/zinc/62/13/21/332621321.db2.gz YYGUEJDPPUACMS-GFCCVEGCSA-N 1 0 301.500 2.593 20 70 DFIDRO [NH2+]=C(NCC1(c2ccccc2Cl)CC1)N1CCSCC1 ZINC000160765220 334879501 /nfs/dbraw/zinc/87/95/01/334879501.db2.gz JNFHXFBCAKVTPG-UHFFFAOYSA-N 1 0 309.866 2.735 20 70 DFIDRO CC(C)(O)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160331460 519361355 /nfs/dbraw/zinc/36/13/55/519361355.db2.gz PBSNTGQQFJKJFI-UHFFFAOYSA-N 1 0 309.207 2.858 20 70 DFIDRO CC(C)CCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000159658122 519656729 /nfs/dbraw/zinc/65/67/29/519656729.db2.gz PNOZIVKOYVHQGV-UHFFFAOYSA-N 1 0 318.465 2.986 20 70 DFIDRO CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCCCO3)CC2)CC1 ZINC000161505936 520995932 /nfs/dbraw/zinc/99/59/32/520995932.db2.gz ULBYFXGCGPFZEF-OFLPRAFFSA-N 1 0 308.466 2.715 20 70 DFIDRO CC1CCN(c2ccc(CN[C@H]3CC[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160488802 521041550 /nfs/dbraw/zinc/04/15/50/521041550.db2.gz KOCGFNMHBAKTJD-WMZOPIPTSA-N 1 0 316.493 2.748 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3ccsc3)nc2C)C1 ZINC000160490862 522393061 /nfs/dbraw/zinc/39/30/61/522393061.db2.gz MBBDZENWZGRQFL-CYBMUJFWSA-N 1 0 301.415 2.552 20 70 DFIDRO COC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000160203008 522768289 /nfs/dbraw/zinc/76/82/89/522768289.db2.gz WFEJBVMQTFVECF-RDJZCZTQSA-N 1 0 317.408 2.681 20 70 DFIDRO O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1ccc(F)cc1 ZINC000160516241 526494419 /nfs/dbraw/zinc/49/44/19/526494419.db2.gz RZCMKJMJZGFBJB-KDOFPFPSSA-N 1 0 320.408 2.781 20 70 DFIDRO Cn1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000160181382 527350562 /nfs/dbraw/zinc/35/05/62/527350562.db2.gz AOUIWYXVYDJJAW-KRWDZBQOSA-N 1 0 300.402 2.912 20 70 DFIDRO CC[C@@H](NC(=O)N1CCC[N@H+](CC)CC1)c1ccc(OC)cc1 ZINC000159545073 186126107 /nfs/dbraw/zinc/12/61/07/186126107.db2.gz PFGDSRRTRNYVPZ-QGZVFWFLSA-N 1 0 319.449 2.884 20 70 DFIDRO C[C@@H](CSCc1ccccc1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000159544717 186126247 /nfs/dbraw/zinc/12/62/47/186126247.db2.gz GGCKBQYPMLOZOM-GOEBONIOSA-N 1 0 306.475 2.624 20 70 DFIDRO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CSCCS1)CC2 ZINC000159567502 186127669 /nfs/dbraw/zinc/12/76/69/186127669.db2.gz BUDXSSMWJOHUJL-GDBMZVCRSA-N 1 0 309.500 2.991 20 70 DFIDRO COC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159592062 186129805 /nfs/dbraw/zinc/12/98/05/186129805.db2.gz PEIHEIGOPYKJGT-YJBOKZPZSA-N 1 0 312.413 2.861 20 70 DFIDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159621837 186131397 /nfs/dbraw/zinc/13/13/97/186131397.db2.gz HZJPSDYQKFTCDS-ZACQAIPSSA-N 1 0 300.402 2.692 20 70 DFIDRO COC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159674786 398966223 /nfs/dbraw/zinc/96/62/23/398966223.db2.gz ZVZQCRIICHFILF-BBRMVZONSA-N 1 0 316.401 2.676 20 70 DFIDRO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159665169 398966736 /nfs/dbraw/zinc/96/67/36/398966736.db2.gz VYMSJOXSEZYKLB-YOEHRIQHSA-N 1 0 315.417 2.848 20 70 DFIDRO CC[NH+](CC)CCN(Cc1ccccc1)c1ccc(C#N)nn1 ZINC000160445182 398969874 /nfs/dbraw/zinc/96/98/74/398969874.db2.gz UIFBSIXMYQMFJM-UHFFFAOYSA-N 1 0 309.417 2.697 20 70 DFIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccccc1)C1CC1 ZINC000160718335 398971923 /nfs/dbraw/zinc/97/19/23/398971923.db2.gz RNZZRLKSXDIOJF-QGZVFWFLSA-N 1 0 313.445 2.845 20 70 DFIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)NC1(c2ccccc2F)CC1 ZINC000160626115 398971217 /nfs/dbraw/zinc/97/12/17/398971217.db2.gz DOMOLJKOHJIOTD-AWEZNQCLSA-N 1 0 317.408 2.598 20 70 DFIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000160784435 398973505 /nfs/dbraw/zinc/97/35/05/398973505.db2.gz FLRZEVLEQSJHQK-UXLLHSPISA-N 1 0 305.466 2.977 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000161299033 197482833 /nfs/dbraw/zinc/48/28/33/197482833.db2.gz HDBNATHKLGCNBW-YSKGHYERSA-N 1 0 310.344 2.512 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)Cc2cccc(F)c2)CC1 ZINC000161087256 197464125 /nfs/dbraw/zinc/46/41/25/197464125.db2.gz UQCZLXUHTLRYRQ-CQSZACIVSA-N 1 0 306.425 2.852 20 70 DFIDRO CCCCn1nc(C)c(/C=C/C(=O)N2CCC[C@H]2C[NH3+])c1Cl ZINC000160315489 197399690 /nfs/dbraw/zinc/39/96/90/197399690.db2.gz FFTFYLURDRLCBE-GWJCSSMESA-N 1 0 324.856 2.608 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCSc3ccc(F)cc31)CC2 ZINC000160301393 197398826 /nfs/dbraw/zinc/39/88/26/197398826.db2.gz UARLLJPOBKSWQP-TZMCWYRMSA-N 1 0 318.421 2.867 20 70 DFIDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])c(C)n1Cc1ccccc1 ZINC000160245940 197395083 /nfs/dbraw/zinc/39/50/83/197395083.db2.gz JVSYOGPEIAQJDZ-QGZVFWFLSA-N 1 0 311.429 2.717 20 70 DFIDRO CCCCn1ncc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1C ZINC000160162086 197390007 /nfs/dbraw/zinc/39/00/07/197390007.db2.gz CAGOZPGNKXPPKL-HNNXBMFYSA-N 1 0 321.469 2.797 20 70 DFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc2nccnc2n1 ZINC000160245747 197394475 /nfs/dbraw/zinc/39/44/75/197394475.db2.gz XESFELQWBWFEIN-YOEHRIQHSA-N 1 0 319.412 2.957 20 70 DFIDRO CCSCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160230030 197394308 /nfs/dbraw/zinc/39/43/08/197394308.db2.gz XMTMXJSOEFLICC-AWEZNQCLSA-N 1 0 311.426 2.775 20 70 DFIDRO CC[NH+](CC)[C@H](C)CNC(=O)Cc1csc(-c2ccoc2)n1 ZINC000160069651 197383733 /nfs/dbraw/zinc/38/37/33/197383733.db2.gz XSGNNVNGOUGNLX-GFCCVEGCSA-N 1 0 321.446 2.792 20 70 DFIDRO COc1cccc(-c2noc([C@H](C)[NH2+]CCC(C)(C)O)n2)c1 ZINC000160048142 197381809 /nfs/dbraw/zinc/38/18/09/197381809.db2.gz LLECHHMETYPCHV-NSHDSACASA-N 1 0 305.378 2.557 20 70 DFIDRO CCCOc1ccc(/C=C/C(=O)NCC(C)(C)[NH3+])cc1OCC ZINC000160082904 197384232 /nfs/dbraw/zinc/38/42/32/197384232.db2.gz DYIPOVPEQKQMTJ-CSKARUKUSA-N 1 0 320.433 2.741 20 70 DFIDRO CCCc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)sc1C ZINC000160025080 197379998 /nfs/dbraw/zinc/37/99/98/197379998.db2.gz FNQFNOIMVFYVKG-HNNXBMFYSA-N 1 0 324.490 2.586 20 70 DFIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccccc1Cl ZINC000160019918 197379945 /nfs/dbraw/zinc/37/99/45/197379945.db2.gz OQTHXNFLHSFIBC-ZXIHIIQKSA-N 1 0 308.809 2.811 20 70 DFIDRO Cc1nc(CSc2ccccc2C(=O)NCCC[NH3+])cs1 ZINC000160002256 197379282 /nfs/dbraw/zinc/37/92/82/197379282.db2.gz RGXQDFGCHKRUBJ-UHFFFAOYSA-N 1 0 321.471 2.822 20 70 DFIDRO Cc1cc2ncc([C@@H](C)[NH2+][C@H]3CCOC(C)(C)C3)c(C)n2n1 ZINC000159945930 197375986 /nfs/dbraw/zinc/37/59/86/197375986.db2.gz KPMQXWLCLIOKDA-OCCSQVGLSA-N 1 0 302.422 2.954 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000159885160 197371374 /nfs/dbraw/zinc/37/13/74/197371374.db2.gz UMCKGDSDFSVBIO-SFHVURJKSA-N 1 0 315.461 2.745 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](Cc2ccccc2)C2CC2)CC1 ZINC000159885287 197370969 /nfs/dbraw/zinc/37/09/69/197370969.db2.gz UMCKGDSDFSVBIO-GOSISDBHSA-N 1 0 315.461 2.745 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](c2ncccc2C)C(C)C)CC1 ZINC000159866586 197370110 /nfs/dbraw/zinc/37/01/10/197370110.db2.gz AOOFSSURGSLZMO-MRXNPFEDSA-N 1 0 318.465 2.824 20 70 DFIDRO C[C@@H](C[NH2+][C@@H](C)c1cnn(C)c1)N1CCc2sccc2C1 ZINC000159860532 197369226 /nfs/dbraw/zinc/36/92/26/197369226.db2.gz WSWUGAVUVNNGNV-STQMWFEESA-N 1 0 304.463 2.579 20 70 DFIDRO COCCOC[C@H]1CC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000159854851 197368931 /nfs/dbraw/zinc/36/89/31/197368931.db2.gz JZNNYCXGGGLJEC-INIZCTEOSA-N 1 0 305.418 2.553 20 70 DFIDRO CC[C@H](C)OCC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000159818466 197366163 /nfs/dbraw/zinc/36/61/63/197366163.db2.gz UEIPZJWHNHZBNL-HOTGVXAUSA-N 1 0 306.450 2.828 20 70 DFIDRO CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)c1cccnc1 ZINC000159508639 197358697 /nfs/dbraw/zinc/35/86/97/197358697.db2.gz UQIQXNYAQSCUTG-KRWDZBQOSA-N 1 0 320.481 2.803 20 70 DFIDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCN1CCCC1=O ZINC000159529114 197360440 /nfs/dbraw/zinc/36/04/40/197360440.db2.gz QRLJDINSUWBTKM-KRWDZBQOSA-N 1 0 306.425 2.995 20 70 DFIDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000159454955 542718016 /nfs/dbraw/zinc/71/80/16/542718016.db2.gz PHMLPLQSKCRDBQ-MEBBXXQBSA-N 1 0 322.792 2.898 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000159578705 542718710 /nfs/dbraw/zinc/71/87/10/542718710.db2.gz MYOMEVZFWKSXJP-HNNXBMFYSA-N 1 0 319.453 2.535 20 70 DFIDRO Cc1noc(C)c1C[C@H](C)NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000160225904 542721661 /nfs/dbraw/zinc/72/16/61/542721661.db2.gz RDZIOFNWZIGOGQ-BJOHPYRUSA-N 1 0 321.808 2.692 20 70 DFIDRO CC(C)(C)c1ccccc1OCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161342520 542728326 /nfs/dbraw/zinc/72/83/26/542728326.db2.gz FMKYQOOZJYCTCI-KBPBESRZSA-N 1 0 304.434 2.749 20 70 DFIDRO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC[C@@H]1[NH3+] ZINC000160672410 542724701 /nfs/dbraw/zinc/72/47/01/542724701.db2.gz HKTBQGVWDGPOHS-NDBYEHHHSA-N 1 0 306.372 2.941 20 70 DFIDRO CC(C)c1nn(C)c2sc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc12 ZINC000160783855 542724758 /nfs/dbraw/zinc/72/47/58/542724758.db2.gz JTQQSEVZLGJJDG-WDEREUQCSA-N 1 0 320.462 2.758 20 70 DFIDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@H](C)c2ccncc2)C1 ZINC000160810921 542725012 /nfs/dbraw/zinc/72/50/12/542725012.db2.gz QBTZGAZKFCOOIM-JKSUJKDBSA-N 1 0 303.450 2.766 20 70 DFIDRO COc1ccc2cc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c(C)nc2c1 ZINC000160908967 542725666 /nfs/dbraw/zinc/72/56/66/542725666.db2.gz SEAADBJDHTXVGB-UONOGXRCSA-N 1 0 313.401 2.552 20 70 DFIDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000160965430 542726118 /nfs/dbraw/zinc/72/61/18/542726118.db2.gz HDANQMWWHICPOV-LLVKDONJSA-N 1 0 318.446 2.689 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2csc(-c3cccs3)n2)C1 ZINC000161008743 542726317 /nfs/dbraw/zinc/72/63/17/542726317.db2.gz RZLXCBCCPHODLB-ZJUUUORDSA-N 1 0 307.444 2.871 20 70 DFIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000161019782 542726498 /nfs/dbraw/zinc/72/64/98/542726498.db2.gz OFUSJHSPZPQVRR-ZIAGYGMSSA-N 1 0 301.365 2.821 20 70 DFIDRO CC[NH+](CC)CCNC(=O)NCCCOc1c(C)cccc1C ZINC000217298204 542876528 /nfs/dbraw/zinc/87/65/28/542876528.db2.gz TYRCRIACANCFEM-UHFFFAOYSA-N 1 0 321.465 2.713 20 70 DFIDRO C[C@@H](c1cccs1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159756534 287156190 /nfs/dbraw/zinc/15/61/90/287156190.db2.gz RHCCOFYSGBDYMI-NSHDSACASA-N 1 0 307.375 2.511 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)C1 ZINC000160611136 267539858 /nfs/dbraw/zinc/53/98/58/267539858.db2.gz BUKZCNWULWARQO-CYBMUJFWSA-N 1 0 316.376 2.839 20 70 DFIDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000161413747 267547499 /nfs/dbraw/zinc/54/74/99/267547499.db2.gz ITNBOENFYZBUKN-DOTOQJQBSA-N 1 0 324.490 2.995 20 70 DFIDRO C[C@@H]([NH2+]Cc1cncn1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218177640 268139756 /nfs/dbraw/zinc/13/97/56/268139756.db2.gz QTLGLRDDCFNSFA-KGLIPLIRSA-N 1 0 322.453 2.545 20 70 DFIDRO C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249713 268139763 /nfs/dbraw/zinc/13/97/63/268139763.db2.gz SYXLBLCVAIJYRK-KGLIPLIRSA-N 1 0 322.453 2.545 20 70 DFIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cccc(OC)c1 ZINC000160353621 425981075 /nfs/dbraw/zinc/98/10/75/425981075.db2.gz VRMOHRMMTFUXPP-HOCLYGCPSA-N 1 0 300.406 2.651 20 70 DFIDRO Cc1ccc(C(=O)CC[NH2+][C@](C)(C(N)=O)c2ccccc2)cc1 ZINC000160434683 425982840 /nfs/dbraw/zinc/98/28/40/425982840.db2.gz PDJWEWHLQOXXAF-IBGZPJMESA-N 1 0 310.397 2.558 20 70 DFIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2cccc(F)c2C#N)C[C@@H](C)O1 ZINC000160473288 425983726 /nfs/dbraw/zinc/98/37/26/425983726.db2.gz TWELRSXZLYADAD-KFWWJZLASA-N 1 0 317.408 2.775 20 70 DFIDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000160472126 425984207 /nfs/dbraw/zinc/98/42/07/425984207.db2.gz SJCOWZLBEHDHTH-VBQJREDUSA-N 1 0 319.405 2.673 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1cccc(C)c1)C1CC1)CC2 ZINC000160545919 425985909 /nfs/dbraw/zinc/98/59/09/425985909.db2.gz HMFFHUDMZNNYSF-ROUUACIJSA-N 1 0 310.445 2.821 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000160544028 425985972 /nfs/dbraw/zinc/98/59/72/425985972.db2.gz CTDYDOPIIVTRRS-CYBMUJFWSA-N 1 0 323.368 2.584 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](Cc1cccc(C)c1)C1CC1)CC2 ZINC000160545655 425986165 /nfs/dbraw/zinc/98/61/65/425986165.db2.gz HMFFHUDMZNNYSF-MSOLQXFVSA-N 1 0 310.445 2.821 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(C3SCCCS3)cc2)C1 ZINC000160544702 425986352 /nfs/dbraw/zinc/98/63/52/425986352.db2.gz ZFOOMBKLWGBMJE-AWEZNQCLSA-N 1 0 322.499 2.989 20 70 DFIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000160543702 425986581 /nfs/dbraw/zinc/98/65/81/425986581.db2.gz OTHSZKQIHAMHBW-JTQLQIEISA-N 1 0 300.324 2.504 20 70 DFIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000160581114 425988266 /nfs/dbraw/zinc/98/82/66/425988266.db2.gz QMNRGCVWUBINLC-RYUDHWBXSA-N 1 0 318.421 2.551 20 70 DFIDRO COCC[NH+]1CCC(CNc2nnc(C(C)(C)C)s2)CC1 ZINC000160579177 425988892 /nfs/dbraw/zinc/98/88/92/425988892.db2.gz PCFDGQSOEWZZBE-UHFFFAOYSA-N 1 0 312.483 2.606 20 70 DFIDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c2ccccc21 ZINC000160593331 425989011 /nfs/dbraw/zinc/98/90/11/425989011.db2.gz AWQKUSZTLRHCTI-MFKMUULPSA-N 1 0 300.324 2.893 20 70 DFIDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160599969 425989188 /nfs/dbraw/zinc/98/91/88/425989188.db2.gz DCVDWDPJUZOTEB-WBMJQRKESA-N 1 0 308.353 2.861 20 70 DFIDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CCCCO1 ZINC000160611927 425989627 /nfs/dbraw/zinc/98/96/27/425989627.db2.gz OILCBQYMHYLTHA-QGZVFWFLSA-N 1 0 320.433 2.915 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)C1 ZINC000160628620 425990097 /nfs/dbraw/zinc/99/00/97/425990097.db2.gz NAWNXOCJOMRQCU-MGPQQGTHSA-N 1 0 312.335 2.629 20 70 DFIDRO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160686605 425991927 /nfs/dbraw/zinc/99/19/27/425991927.db2.gz BSRZDXLZDDKBLX-APWZRJJASA-N 1 0 316.445 2.815 20 70 DFIDRO CC[C@@H](O)CCNC(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000160746853 425994841 /nfs/dbraw/zinc/99/48/41/425994841.db2.gz BVZOQTAULFGWDV-SJORKVTESA-N 1 0 321.465 2.530 20 70 DFIDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160774693 425995864 /nfs/dbraw/zinc/99/58/64/425995864.db2.gz BIVXLHGUCWPBIK-PBHICJAKSA-N 1 0 320.389 2.601 20 70 DFIDRO CSCC[C@H](C)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160855208 425998923 /nfs/dbraw/zinc/99/89/23/425998923.db2.gz XAQNCWKDGWRGHV-UONOGXRCSA-N 1 0 313.511 2.786 20 70 DFIDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000160963340 426002832 /nfs/dbraw/zinc/00/28/32/426002832.db2.gz OUFBVZRCSSQTTC-CYBMUJFWSA-N 1 0 300.337 2.768 20 70 DFIDRO CC[C@@H]([NH2+]CC(=O)NC(C)C)c1ccccc1OC(F)F ZINC000160977474 426003754 /nfs/dbraw/zinc/00/37/54/426003754.db2.gz OXCILGPLLXADEG-GFCCVEGCSA-N 1 0 300.349 2.853 20 70 DFIDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CCCOC(C)C)C2)n1 ZINC000159378167 425958876 /nfs/dbraw/zinc/95/88/76/425958876.db2.gz GUTQSWWDQIRZAC-MRXNPFEDSA-N 1 0 319.449 2.856 20 70 DFIDRO Cc1sc(-c2ccco2)nc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159384475 425959626 /nfs/dbraw/zinc/95/96/26/425959626.db2.gz OCMBONZNGNSEFO-TXEJJXNPSA-N 1 0 317.414 2.678 20 70 DFIDRO COCCN(C)CC[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000159422236 425960466 /nfs/dbraw/zinc/96/04/66/425960466.db2.gz SAKBGOMPZDLFBX-GFCCVEGCSA-N 1 0 320.355 2.814 20 70 DFIDRO N#Cc1ccc(-c2cnc(CN3CC[NH+](CC4CC4)CC3)o2)cc1 ZINC000159407480 425961113 /nfs/dbraw/zinc/96/11/13/425961113.db2.gz RYCNGZSOHGIULH-UHFFFAOYSA-N 1 0 322.412 2.741 20 70 DFIDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)CN1C1CC1 ZINC000159500360 425961969 /nfs/dbraw/zinc/96/19/69/425961969.db2.gz FBLCNQYDRHGSDN-KBAYOESNSA-N 1 0 324.472 2.742 20 70 DFIDRO COc1ccc(SCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159516291 425962133 /nfs/dbraw/zinc/96/21/33/425962133.db2.gz KEFBGTCNKFNVAV-OKILXGFUSA-N 1 0 320.458 2.530 20 70 DFIDRO C[C@H]1CCO[C@@H]1C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000159580806 425962867 /nfs/dbraw/zinc/96/28/67/425962867.db2.gz RMAQSBJTSUOHCA-LSCKAKRGSA-N 1 0 322.493 2.913 20 70 DFIDRO CC(C)COc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1 ZINC000159571538 425963147 /nfs/dbraw/zinc/96/31/47/425963147.db2.gz UWUBYWISAIMIGD-ZBFHGGJFSA-N 1 0 304.434 2.807 20 70 DFIDRO CC(C)COc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1 ZINC000159571794 425963510 /nfs/dbraw/zinc/96/35/10/425963510.db2.gz UWUBYWISAIMIGD-GDBMZVCRSA-N 1 0 304.434 2.807 20 70 DFIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cnc(C2CCCC2)s1 ZINC000159551865 425963548 /nfs/dbraw/zinc/96/35/48/425963548.db2.gz IHUHSGYFXHKZIJ-AAEUAGOBSA-N 1 0 307.463 2.887 20 70 DFIDRO CC(C)COc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000159571915 425963564 /nfs/dbraw/zinc/96/35/64/425963564.db2.gz UWUBYWISAIMIGD-GOEBONIOSA-N 1 0 304.434 2.807 20 70 DFIDRO Cc1nc(CC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c(C)s1 ZINC000159644575 425964604 /nfs/dbraw/zinc/96/46/04/425964604.db2.gz CHNQZBGEVRVKNJ-UHFFFAOYSA-N 1 0 323.506 2.883 20 70 DFIDRO COc1ccc2oc(C[N@@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)cc2c1 ZINC000159704003 425965219 /nfs/dbraw/zinc/96/52/19/425965219.db2.gz CJAPJXDYHDGSMQ-RYUDHWBXSA-N 1 0 302.374 2.527 20 70 DFIDRO Cc1ccc(-c2ncc(C[N@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)s2)o1 ZINC000159680069 425965468 /nfs/dbraw/zinc/96/54/68/425965468.db2.gz OZFGIHCXMJFNRY-JQWIXIFHSA-N 1 0 319.430 2.797 20 70 DFIDRO C[C@H]1SCCN(C(=O)C[NH2+]CC2CC2)[C@H]1c1ccccc1 ZINC000159680952 425965728 /nfs/dbraw/zinc/96/57/28/425965728.db2.gz DITKWHCSJZHCSC-CXAGYDPISA-N 1 0 304.459 2.691 20 70 DFIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000159796693 425967618 /nfs/dbraw/zinc/96/76/18/425967618.db2.gz NACHQSFBUPOQEG-QGZVFWFLSA-N 1 0 323.525 2.545 20 70 DFIDRO Cc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1Br ZINC000159800313 425968116 /nfs/dbraw/zinc/96/81/16/425968116.db2.gz XCJDVRANFUXRLA-ZDUSSCGKSA-N 1 0 311.223 2.567 20 70 DFIDRO Cc1c(Br)cccc1C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000159833209 425968677 /nfs/dbraw/zinc/96/86/77/425968677.db2.gz VHNSWCPNLUUEAY-ZDUSSCGKSA-N 1 0 311.223 2.567 20 70 DFIDRO C[C@@H]1C[C@H](NC(=O)N2CCc3cccc(F)c3C2)C[N@@H+]1C1CC1 ZINC000159853547 425968882 /nfs/dbraw/zinc/96/88/82/425968882.db2.gz HSADCIVJNXUMCV-OCCSQVGLSA-N 1 0 317.408 2.519 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000159870770 425969454 /nfs/dbraw/zinc/96/94/54/425969454.db2.gz KXVUEJACSYBHTE-SWLSCSKDSA-N 1 0 323.387 2.558 20 70 DFIDRO CCN(CC)[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159908573 425970810 /nfs/dbraw/zinc/97/08/10/425970810.db2.gz FWPLXSBQBCYIHD-QGZVFWFLSA-N 1 0 323.525 2.687 20 70 DFIDRO C[NH+]=C(NC[C@H]1CC=CCC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000159959438 425971462 /nfs/dbraw/zinc/97/14/62/425971462.db2.gz VMKRBUIDFVRTLP-ULQDDVLXSA-N 1 0 315.465 2.698 20 70 DFIDRO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161032728 426005326 /nfs/dbraw/zinc/00/53/26/426005326.db2.gz ILDDSMFERLOEFE-PMUMKWKESA-N 1 0 320.408 2.780 20 70 DFIDRO CS[C@H](C)CC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000161008876 426005345 /nfs/dbraw/zinc/00/53/45/426005345.db2.gz IAHAFOKLZNJWOA-CYBMUJFWSA-N 1 0 312.454 2.858 20 70 DFIDRO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161016063 426005362 /nfs/dbraw/zinc/00/53/62/426005362.db2.gz KDYIAHUXNPVCHL-DODZYUBVSA-N 1 0 322.493 2.651 20 70 DFIDRO C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCOC1 ZINC000159969299 425971938 /nfs/dbraw/zinc/97/19/38/425971938.db2.gz UQUAGKUYJROMTR-GXTWGEPZSA-N 1 0 308.388 2.665 20 70 DFIDRO CN(C)c1cc[n+]([C@H]2CCCN(c3ccccc3F)C2=O)cc1 ZINC000160080992 425974091 /nfs/dbraw/zinc/97/40/91/425974091.db2.gz RBDLYAHVZZXCCF-KRWDZBQOSA-N 1 0 314.384 2.547 20 70 DFIDRO C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NCCC[NH3+] ZINC000160153437 425975606 /nfs/dbraw/zinc/97/56/06/425975606.db2.gz IUHBXGDKAVLTJL-OAHLLOKOSA-N 1 0 312.413 2.510 20 70 DFIDRO CCC[C@@H]([NH2+][C@@H](CC)COC)C(=O)N1CCc2sccc2C1 ZINC000160200446 425976138 /nfs/dbraw/zinc/97/61/38/425976138.db2.gz QOKQJOIVBMPFOH-LSDHHAIUSA-N 1 0 324.490 2.816 20 70 DFIDRO CCOC(=O)[C@@H]1CCC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000160281363 425978377 /nfs/dbraw/zinc/97/83/77/425978377.db2.gz HISJGJXNEFXEPE-MRXNPFEDSA-N 1 0 322.424 2.533 20 70 DFIDRO Cc1nc(CC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c(C)s1 ZINC000160349230 425979264 /nfs/dbraw/zinc/97/92/64/425979264.db2.gz LCXSSVDNLDBZFH-PXAZEXFGSA-N 1 0 323.506 2.929 20 70 DFIDRO CCC[N@@H+](Cc1cn(C)nc1C)C[C@H]1COc2ccccc2O1 ZINC000161410667 426022909 /nfs/dbraw/zinc/02/29/09/426022909.db2.gz RUSZSUFXYXUGBS-INIZCTEOSA-N 1 0 315.417 2.781 20 70 DFIDRO Cc1ccc2cc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)ccc2n1 ZINC000161465527 426025523 /nfs/dbraw/zinc/02/55/23/426025523.db2.gz ADIFZRFDFIQTGI-QGZVFWFLSA-N 1 0 309.413 2.854 20 70 DFIDRO CCC[C@@H](C(=O)Nc1cccc(NC(=O)C(C)C)c1)[NH+](C)C ZINC000161500509 426026170 /nfs/dbraw/zinc/02/61/70/426026170.db2.gz JZGALZOJUMTJEC-HNNXBMFYSA-N 1 0 305.422 2.950 20 70 DFIDRO Cc1ccc(C(=O)CCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161496675 426026500 /nfs/dbraw/zinc/02/65/00/426026500.db2.gz APRCCSDVFJWTFC-SJPCQFCGSA-N 1 0 314.429 2.699 20 70 DFIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000161500754 426027009 /nfs/dbraw/zinc/02/70/09/426027009.db2.gz AJPWBHYPWXYYAA-PBHICJAKSA-N 1 0 313.397 2.885 20 70 DFIDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000161058958 426006586 /nfs/dbraw/zinc/00/65/86/426006586.db2.gz SYBPOTVFDUATCD-KYOSRNDESA-N 1 0 310.825 2.532 20 70 DFIDRO CCO[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)C12CCCC2 ZINC000161113116 426008697 /nfs/dbraw/zinc/00/86/97/426008697.db2.gz WGTJBXIMDUNZGH-ARFHVFGLSA-N 1 0 302.418 2.540 20 70 DFIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000161108613 426008811 /nfs/dbraw/zinc/00/88/11/426008811.db2.gz FWBZNVQDWDNUCM-CABCVRRESA-N 1 0 322.399 2.916 20 70 DFIDRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000161102502 426008826 /nfs/dbraw/zinc/00/88/26/426008826.db2.gz RTNVQUFZRRBAON-RCCFBDPRSA-N 1 0 316.445 2.579 20 70 DFIDRO C[C@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)Oc1ccc(F)cc1 ZINC000161125538 426010127 /nfs/dbraw/zinc/01/01/27/426010127.db2.gz DWVZZKYCEILFOQ-ZIAGYGMSSA-N 1 0 322.424 2.735 20 70 DFIDRO CCC[C@@H](C(=O)N(C)Cc1ccc(OC(F)F)cc1)[NH+](C)C ZINC000161216790 426013399 /nfs/dbraw/zinc/01/33/99/426013399.db2.gz KXXOUJOXMGEZLE-AWEZNQCLSA-N 1 0 314.376 2.977 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)n1 ZINC000161231695 426013472 /nfs/dbraw/zinc/01/34/72/426013472.db2.gz WQKHPAAHRWUIJO-OAHLLOKOSA-N 1 0 321.469 2.925 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000161211729 426013515 /nfs/dbraw/zinc/01/35/15/426013515.db2.gz VJPBGVWLMVZHAM-GOEBONIOSA-N 1 0 318.461 2.962 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(OCC(C)C)c(OC)c1 ZINC000161246027 426014800 /nfs/dbraw/zinc/01/48/00/426014800.db2.gz HWCYLOHHIAAFAR-OAHLLOKOSA-N 1 0 320.433 2.554 20 70 DFIDRO C[C@@H]1CCO[C@H]1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000161273572 426015821 /nfs/dbraw/zinc/01/58/21/426015821.db2.gz ASZLNTURYDBLSE-SOLBZPMBSA-N 1 0 322.493 2.915 20 70 DFIDRO COC(=O)c1ccc2[nH]cc(C(=O)CN(C)C3CCC3)c2c1 ZINC000161270116 426016367 /nfs/dbraw/zinc/01/63/67/426016367.db2.gz JISHBDXRBCWAPF-UHFFFAOYSA-N 1 0 300.358 2.622 20 70 DFIDRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCOCC1 ZINC000161263759 426016458 /nfs/dbraw/zinc/01/64/58/426016458.db2.gz VYTCMYYKWIGRKL-CQSZACIVSA-N 1 0 300.443 2.694 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000161296977 426017411 /nfs/dbraw/zinc/01/74/11/426017411.db2.gz DAZINKLGYFFZFY-HNNXBMFYSA-N 1 0 303.450 2.537 20 70 DFIDRO CC[C@H](C)OCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000161346796 426020168 /nfs/dbraw/zinc/02/01/68/426020168.db2.gz DBZZYOWNKRMXHZ-XYJFISCASA-N 1 0 318.461 2.828 20 70 DFIDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000161355275 426021036 /nfs/dbraw/zinc/02/10/36/426021036.db2.gz XKXAUWPOZYHXNO-SFYZADRCSA-N 1 0 303.175 2.503 20 70 DFIDRO CC(C)(C)NC(=O)c1cccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000161348180 426021181 /nfs/dbraw/zinc/02/11/81/426021181.db2.gz VPKPVFURWYJSRE-SFHVURJKSA-N 1 0 317.433 2.543 20 70 DFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)C[C@H](O)c1ccccc1 ZINC000160233789 273639823 /nfs/dbraw/zinc/63/98/23/273639823.db2.gz RXQDWOFPNIQCGW-ZOBUZTSGSA-N 1 0 321.465 2.528 20 70 DFIDRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCc2cccc(F)c2C1 ZINC000159718630 276116300 /nfs/dbraw/zinc/11/63/00/276116300.db2.gz MTUHJGOIDLYHCL-CYBMUJFWSA-N 1 0 307.413 2.624 20 70 DFIDRO CC1=C(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CCCO1 ZINC000160367657 276175027 /nfs/dbraw/zinc/17/50/27/276175027.db2.gz IYSGUDIQMQEIRI-INIZCTEOSA-N 1 0 306.381 2.629 20 70 DFIDRO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159594192 276319279 /nfs/dbraw/zinc/31/92/79/276319279.db2.gz JNOMOBPZOZLTDI-OKZBNKHCSA-N 1 0 318.461 2.689 20 70 DFIDRO CC(=O)Nc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159621701 277076038 /nfs/dbraw/zinc/07/60/38/277076038.db2.gz HZJPSDYQKFTCDS-ULQDDVLXSA-N 1 0 300.402 2.692 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000161378577 278088462 /nfs/dbraw/zinc/08/84/62/278088462.db2.gz QGLPIMHSSAMKJQ-ACBHZAAOSA-N 1 0 317.477 2.635 20 70 DFIDRO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160676863 279213051 /nfs/dbraw/zinc/21/30/51/279213051.db2.gz NZRHNMWTDDQOGT-DOEOUOAPSA-N 1 0 322.493 2.791 20 70 DFIDRO Cc1ccc([C@@H]2CN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CCO2)c(C)c1 ZINC000160414227 280961652 /nfs/dbraw/zinc/96/16/52/280961652.db2.gz LXRVYWQMTHXSOL-BQFCYCMXSA-N 1 0 316.445 2.721 20 70 DFIDRO C[C@H](c1cccs1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159756665 290273104 /nfs/dbraw/zinc/27/31/04/290273104.db2.gz RHCCOFYSGBDYMI-LLVKDONJSA-N 1 0 307.375 2.511 20 70 DFIDRO COC[C@H]([NH2+][C@H]1CCCN(c2ccccc2C#N)C1)C(C)C ZINC000159499131 293168158 /nfs/dbraw/zinc/16/81/58/293168158.db2.gz KQPPVXCAIQCXOV-IRXDYDNUSA-N 1 0 301.434 2.788 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CC(C)(C)Cc3occc31)CC2 ZINC000160400290 293543367 /nfs/dbraw/zinc/54/33/67/293543367.db2.gz AIBSNICTRPFWGE-GXTWGEPZSA-N 1 0 300.406 2.798 20 70 DFIDRO CCOc1ccc(Cl)cc1CCNC(=O)C[N@H+](CC)C1CC1 ZINC000159365213 295375662 /nfs/dbraw/zinc/37/56/62/295375662.db2.gz KYYVJQXVELAVNT-UHFFFAOYSA-N 1 0 324.852 2.882 20 70 DFIDRO C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccn1 ZINC000159361292 295375705 /nfs/dbraw/zinc/37/57/05/295375705.db2.gz HIPDXQBKQFRQDG-WMZOPIPTSA-N 1 0 323.440 2.966 20 70 DFIDRO CC[C@@H]([NH2+]CCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCOC1 ZINC000159497632 295377835 /nfs/dbraw/zinc/37/78/35/295377835.db2.gz GCBZEEWMVLCONY-ZIAGYGMSSA-N 1 0 300.443 2.648 20 70 DFIDRO C[C@H](CC(=O)NC[C@@H](C1CC1)[NH+](C)C)c1ccc(F)cc1F ZINC000159575987 295378614 /nfs/dbraw/zinc/37/86/14/295378614.db2.gz RSZHVJYAMJNSPL-BZNIZROVSA-N 1 0 310.388 2.915 20 70 DFIDRO Cc1nn(C)cc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000159579647 295378617 /nfs/dbraw/zinc/37/86/17/295378617.db2.gz LMGLJVDDPGHRQS-INIZCTEOSA-N 1 0 302.422 2.638 20 70 DFIDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c(OC)c1 ZINC000159662374 295379819 /nfs/dbraw/zinc/37/98/19/295379819.db2.gz FUPNZNOWCQEJKV-BBRMVZONSA-N 1 0 318.417 2.907 20 70 DFIDRO C[C@H](CC(=O)NCCc1ccccc1)[NH2+][C@@H]1CCCSC1 ZINC000159650907 295379912 /nfs/dbraw/zinc/37/99/12/295379912.db2.gz MXNKMWILIMRYLI-GDBMZVCRSA-N 1 0 306.475 2.609 20 70 DFIDRO CCCCn1ncc(NC(=O)N[C@H]2CCC[N@H+](CC)C2)c1C ZINC000159721295 295380606 /nfs/dbraw/zinc/38/06/06/295380606.db2.gz NCBCXOVUTXDOIZ-AWEZNQCLSA-N 1 0 307.442 2.597 20 70 DFIDRO C[C@H]1CCC[C@@](CNC(=O)NCc2ncccc2F)([NH+](C)C)C1 ZINC000159724074 295380634 /nfs/dbraw/zinc/38/06/34/295380634.db2.gz NWIWIQHECCPBIB-SUMWQHHRSA-N 1 0 322.428 2.530 20 70 DFIDRO COC(=O)c1occc1C[N@H+](CCc1nccs1)C(C)C ZINC000159819185 295382049 /nfs/dbraw/zinc/38/20/49/295382049.db2.gz JYABXCUZOQVXJE-UHFFFAOYSA-N 1 0 308.403 2.976 20 70 DFIDRO C[C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)C1CCOCC1 ZINC000159817152 295382073 /nfs/dbraw/zinc/38/20/73/295382073.db2.gz AAXGPESFVJCMHM-HNNXBMFYSA-N 1 0 308.466 2.526 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCc3ccc(F)cc32)CC1 ZINC000159830171 295382625 /nfs/dbraw/zinc/38/26/25/295382625.db2.gz BFBLWKVUAZMWLQ-MRXNPFEDSA-N 1 0 305.397 2.550 20 70 DFIDRO COC(=O)c1ccc(C[N@H+](CCc2nccs2)C(C)C)o1 ZINC000159916999 295383353 /nfs/dbraw/zinc/38/33/53/295383353.db2.gz CBBWDVSDUSWYPR-UHFFFAOYSA-N 1 0 308.403 2.976 20 70 DFIDRO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000159896283 295383535 /nfs/dbraw/zinc/38/35/35/295383535.db2.gz FLNCRUQNRJWVSK-QWHCGFSZSA-N 1 0 306.454 2.511 20 70 DFIDRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000159896105 295383650 /nfs/dbraw/zinc/38/36/50/295383650.db2.gz FLNCRUQNRJWVSK-OLZOCXBDSA-N 1 0 306.454 2.511 20 70 DFIDRO Cc1n[nH]c(C)c1CNc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000160114001 295386456 /nfs/dbraw/zinc/38/64/56/295386456.db2.gz AKLKWYSVMSEPII-UHFFFAOYSA-N 1 0 315.421 2.507 20 70 DFIDRO COC(C)(C)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000160245770 295388332 /nfs/dbraw/zinc/38/83/32/295388332.db2.gz KZWBBKCEISOKHL-NSHDSACASA-N 1 0 322.232 2.748 20 70 DFIDRO CC[NH+](CC)[C@H](CNC(=O)C1(C)CC1)c1cccc(OC)c1 ZINC000160244003 295388363 /nfs/dbraw/zinc/38/83/63/295388363.db2.gz YMWSHNSFEBABCL-MRXNPFEDSA-N 1 0 304.434 2.994 20 70 DFIDRO COc1cccc(CCNC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000160304620 295389391 /nfs/dbraw/zinc/38/93/91/295389391.db2.gz BFQCSQDNNMJCAZ-UHFFFAOYSA-N 1 0 312.413 2.729 20 70 DFIDRO C[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000160404630 295390585 /nfs/dbraw/zinc/39/05/85/295390585.db2.gz OJKCQKLTJDSGAJ-MRXNPFEDSA-N 1 0 318.461 2.687 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)Cc2coc3ccc4ccccc4c23)C1 ZINC000160468389 295391456 /nfs/dbraw/zinc/39/14/56/295391456.db2.gz MIFSWXHIENSKDH-OAHLLOKOSA-N 1 0 308.381 2.949 20 70 DFIDRO CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000160458729 295391589 /nfs/dbraw/zinc/39/15/89/295391589.db2.gz ACALHEFODUZJJM-CQSZACIVSA-N 1 0 312.454 2.933 20 70 DFIDRO CC[C@H](OC1CCCC1)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160466684 295391670 /nfs/dbraw/zinc/39/16/70/295391670.db2.gz DZNGNIUPPASCAJ-WBVHZDCISA-N 1 0 310.482 2.961 20 70 DFIDRO C[NH+](C)Cc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000160468871 295391758 /nfs/dbraw/zinc/39/17/58/295391758.db2.gz UTHAQSBOVLZNMP-UHFFFAOYSA-N 1 0 313.357 2.586 20 70 DFIDRO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000160548890 295392315 /nfs/dbraw/zinc/39/23/15/295392315.db2.gz KZNURBCPNSFHIV-YOEHRIQHSA-N 1 0 315.417 2.848 20 70 DFIDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000160527924 295392525 /nfs/dbraw/zinc/39/25/25/295392525.db2.gz CQJHACJNMUDTCN-OTYXRUKQSA-N 1 0 318.314 2.717 20 70 DFIDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1cn(C)nc1C ZINC000160631980 295393940 /nfs/dbraw/zinc/39/39/40/295393940.db2.gz TUXDUOVPXVLXEG-UHFFFAOYSA-N 1 0 323.444 2.945 20 70 DFIDRO CCC(CC)n1ncc(C(=O)NC[C@H]2CC[N@H+](CC)C2)c1C ZINC000160660999 295394118 /nfs/dbraw/zinc/39/41/18/295394118.db2.gz NRRKTBFFBYHHFT-CQSZACIVSA-N 1 0 306.454 2.624 20 70 DFIDRO CC(C)C[C@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000161023132 295397683 /nfs/dbraw/zinc/39/76/83/295397683.db2.gz YOHSPWOBLQFLMS-QZTJIDSGSA-N 1 0 318.461 2.564 20 70 DFIDRO CC(C)c1nn(C)c(N2CCOCC2)c1C[NH2+]C1CCCCC1 ZINC000161361071 295401902 /nfs/dbraw/zinc/40/19/02/295401902.db2.gz XXKJIAYNMRHPSJ-UHFFFAOYSA-N 1 0 320.481 2.802 20 70 DFIDRO N#Cc1ccc(N2CCC[C@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000160443176 303193706 /nfs/dbraw/zinc/19/37/06/303193706.db2.gz UWDPDSSLHVFTKU-HNNXBMFYSA-N 1 0 314.389 2.921 20 70 DFIDRO CCOCCCNC(=[NH2+])NCc1cccc(-c2ccccn2)c1 ZINC000160789210 333367947 /nfs/dbraw/zinc/36/79/47/333367947.db2.gz IYLIKGKXFKJPNX-UHFFFAOYSA-N 1 0 312.417 2.580 20 70 DFIDRO CC[NH+]1CCC(CCNC(=O)c2cncc(OC(C)C)c2)CC1 ZINC000160867107 521548904 /nfs/dbraw/zinc/54/89/04/521548904.db2.gz XZMBHKJHVBZMSK-UHFFFAOYSA-N 1 0 319.449 2.721 20 70 DFIDRO CCc1ncc(NC(=O)N2CCC([NH2+]C3CCCC3)CC2)cn1 ZINC000161154331 522566870 /nfs/dbraw/zinc/56/68/70/522566870.db2.gz TZTCNACPXUOCCI-UHFFFAOYSA-N 1 0 317.437 2.568 20 70 DFIDRO COc1ccc2ccccc2c1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161342477 525653322 /nfs/dbraw/zinc/65/33/22/525653322.db2.gz XOKNTZJHNWPOJK-LJQANCHMSA-N 1 0 312.413 2.854 20 70 DFIDRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC(C)(C)[NH3+] ZINC000159955497 525931966 /nfs/dbraw/zinc/93/19/66/525931966.db2.gz KULBXQSJGTYEGO-QMMMGPOBSA-N 1 0 305.205 2.614 20 70 DFIDRO Cc1ccc(Br)cc1C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000159860537 525982777 /nfs/dbraw/zinc/98/27/77/525982777.db2.gz MUIYVWZIOYBAHK-CYBMUJFWSA-N 1 0 311.223 2.567 20 70 DFIDRO Cc1cc(Br)cc(CN2CC[C@H]([NH+](C)C)C2)c1O ZINC000160966026 526158129 /nfs/dbraw/zinc/15/81/29/526158129.db2.gz ITTIFUQJIIVRAD-ZDUSSCGKSA-N 1 0 313.239 2.599 20 70 DFIDRO Cc1csc(N2CCC([NH2+]C[C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000160491982 526377371 /nfs/dbraw/zinc/37/73/71/526377371.db2.gz DFWMEENMNLKZHQ-DZGCQCFKSA-N 1 0 309.479 2.561 20 70 DFIDRO Clc1ccc(C2=NO[C@@H](CN3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000159778950 282506291 /nfs/dbraw/zinc/50/62/91/282506291.db2.gz WDIFYVZFLJMBSO-MRXNPFEDSA-N 1 0 319.836 2.613 20 70 DFIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(-n2ccnc2)cc1 ZINC000159543976 186125842 /nfs/dbraw/zinc/12/58/42/186125842.db2.gz SINKBJPCFKZJEN-OAHLLOKOSA-N 1 0 312.417 2.535 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cc(C)ccc2OC)CC1 ZINC000159556003 186126869 /nfs/dbraw/zinc/12/68/69/186126869.db2.gz SHCDEFUWGUQNJM-OAHLLOKOSA-N 1 0 319.449 2.802 20 70 DFIDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000159581132 186128131 /nfs/dbraw/zinc/12/81/31/186128131.db2.gz WUAKACPKTCNVSD-INIZCTEOSA-N 1 0 304.438 2.530 20 70 DFIDRO c1cc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c2c(c1)OCCCO2 ZINC000159586820 186128855 /nfs/dbraw/zinc/12/88/55/186128855.db2.gz HMNOHFVWYSRRKZ-JLSDUUJJSA-N 1 0 315.413 2.895 20 70 DFIDRO COc1ccc2c(CC(=O)NCC3([NH3+])CCCCC3)coc2c1 ZINC000159597869 186129424 /nfs/dbraw/zinc/12/94/24/186129424.db2.gz RDGMOGXQABJALV-UHFFFAOYSA-N 1 0 316.401 2.762 20 70 DFIDRO Cc1nn(-c2ccccc2)cc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159631545 186131821 /nfs/dbraw/zinc/13/18/21/186131821.db2.gz IOGXZHYCAPNGIH-UHFFFAOYSA-N 1 0 312.417 2.572 20 70 DFIDRO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000159628300 186132041 /nfs/dbraw/zinc/13/20/41/186132041.db2.gz ZCMVKFOULIZUBX-GXTWGEPZSA-N 1 0 308.447 2.898 20 70 DFIDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2ccnc2)cc1OC ZINC000159704446 186136429 /nfs/dbraw/zinc/13/64/29/186136429.db2.gz DCNLNEKGMVYXKC-OAHLLOKOSA-N 1 0 301.390 2.737 20 70 DFIDRO CC[C@H](NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1ccc(F)cc1F ZINC000159726891 186137943 /nfs/dbraw/zinc/13/79/43/186137943.db2.gz UHFXBIMMHDKNDJ-MIXNLCTQSA-N 1 0 308.372 2.906 20 70 DFIDRO CC(C)[NH2+]CCC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000159379803 398964548 /nfs/dbraw/zinc/96/45/48/398964548.db2.gz PDAZMYBCOWQORT-AWEZNQCLSA-N 1 0 324.396 2.710 20 70 DFIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NCCCc1ccccc1 ZINC000159674214 398966483 /nfs/dbraw/zinc/96/64/83/398966483.db2.gz KVWDDJAMVGNICA-ROUUACIJSA-N 1 0 300.446 3.000 20 70 DFIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160346658 398970580 /nfs/dbraw/zinc/97/05/80/398970580.db2.gz CJDOFVWZSZJZJJ-YOEHRIQHSA-N 1 0 319.474 2.696 20 70 DFIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1cccs1)C1CC1 ZINC000160737915 398971845 /nfs/dbraw/zinc/97/18/45/398971845.db2.gz ROTASJBZLCINKF-CQSZACIVSA-N 1 0 319.474 2.906 20 70 DFIDRO CC[C@@H]([NH2+]CCc1cc(OC)ccc1OC)c1cnn(C)c1 ZINC000161412179 197492609 /nfs/dbraw/zinc/49/26/09/197492609.db2.gz QIBLUGJKVRWOMN-MRXNPFEDSA-N 1 0 303.406 2.721 20 70 DFIDRO CC(=O)NC1CCC([NH2+]CCCCc2nc(C)cs2)CC1 ZINC000161416376 197493821 /nfs/dbraw/zinc/49/38/21/197493821.db2.gz HIUNHBAKRMZNTK-UHFFFAOYSA-N 1 0 309.479 2.811 20 70 DFIDRO Cc1cccc(O[C@H](C)CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000161167101 197471607 /nfs/dbraw/zinc/47/16/07/197471607.db2.gz XHKNLXLYOGIADY-MGNMYUMUSA-N 1 0 316.445 2.799 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000161173974 197471196 /nfs/dbraw/zinc/47/11/96/197471196.db2.gz AXKNJUUIEMCPIJ-UHFFFAOYSA-N 1 0 319.449 2.919 20 70 DFIDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc(F)ccc1Br ZINC000161024306 197458289 /nfs/dbraw/zinc/45/82/89/197458289.db2.gz HYTHSLAKJRJXEB-XYZCENFISA-N 1 0 322.243 2.835 20 70 DFIDRO CCC[C@@H]([NH3+])C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 ZINC000160939959 197452117 /nfs/dbraw/zinc/45/21/17/197452117.db2.gz YQGBPGSDCVFGFN-OAHLLOKOSA-N 1 0 306.406 2.619 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000160473522 197413601 /nfs/dbraw/zinc/41/36/01/197413601.db2.gz QXMHWWHIHBVXBU-UHFFFAOYSA-N 1 0 318.421 2.638 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1c3cccc(F)c3CC[C@@H]1C)CC2 ZINC000160323000 197401196 /nfs/dbraw/zinc/40/11/96/197401196.db2.gz ABBZHKZDEXEPNE-WHWRDJHUSA-N 1 0 314.408 2.954 20 70 DFIDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1cn2c(cccc2C)n1 ZINC000160318069 197399750 /nfs/dbraw/zinc/39/97/50/197399750.db2.gz ITKPTOWHEMKJOO-KRWDZBQOSA-N 1 0 309.413 2.990 20 70 DFIDRO Cc1ccc(C(=O)CC[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000160309739 197398854 /nfs/dbraw/zinc/39/88/54/197398854.db2.gz WKVORLPDFDOPBW-DOTOQJQBSA-N 1 0 305.443 2.774 20 70 DFIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000160227455 197394053 /nfs/dbraw/zinc/39/40/53/197394053.db2.gz PIDYOVSXXRPNDB-CJNGLKHVSA-N 1 0 312.373 2.922 20 70 DFIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000160219429 197393200 /nfs/dbraw/zinc/39/32/00/197393200.db2.gz MVXXHLLHLGCHNJ-RYUDHWBXSA-N 1 0 308.403 2.600 20 70 DFIDRO CCCCn1ncc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1C ZINC000160150259 197389614 /nfs/dbraw/zinc/38/96/14/197389614.db2.gz QWLHQINZNIJJJJ-HNNXBMFYSA-N 1 0 319.453 2.694 20 70 DFIDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2cn(C)nc2C)cc1 ZINC000160074580 197383329 /nfs/dbraw/zinc/38/33/29/197383329.db2.gz PNDNRAIVGHXMPN-UHFFFAOYSA-N 1 0 314.433 2.548 20 70 DFIDRO COc1cccc(Cl)c1CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000160138227 197389053 /nfs/dbraw/zinc/38/90/53/197389053.db2.gz MYMVMTJDFMYUTM-CHWSQXEVSA-N 1 0 324.852 2.832 20 70 DFIDRO CCCc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)sc1C ZINC000160025210 197379899 /nfs/dbraw/zinc/37/98/99/197379899.db2.gz FNQFNOIMVFYVKG-OAHLLOKOSA-N 1 0 324.490 2.586 20 70 DFIDRO C[C@H](C[NH2+][C@H]1CCCc2c1cnn2C)N1CCc2ccccc21 ZINC000159937958 197374866 /nfs/dbraw/zinc/37/48/66/197374866.db2.gz MYWJZDFYOYGAPL-PBHICJAKSA-N 1 0 310.445 2.838 20 70 DFIDRO CC[C@@H]1CN(CC#Cc2cccc(Cl)c2)CC[N@@H+]1CCOC ZINC000159928155 197374382 /nfs/dbraw/zinc/37/43/82/197374382.db2.gz PXSUVKLKRNDALG-GOSISDBHSA-N 1 0 320.864 2.734 20 70 DFIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1CCC1 ZINC000159921085 197373519 /nfs/dbraw/zinc/37/35/19/197373519.db2.gz SKJRIXUSKIBOPQ-YOEHRIQHSA-N 1 0 301.434 2.701 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)c2ccc(F)cc2)CC1 ZINC000159816337 197366233 /nfs/dbraw/zinc/36/62/33/197366233.db2.gz OOTUAUQYIGOVKR-UHFFFAOYSA-N 1 0 321.440 2.841 20 70 DFIDRO CC[C@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1cnn(C)c1 ZINC000159788908 197364871 /nfs/dbraw/zinc/36/48/71/197364871.db2.gz UCXCVOQJXVSMPN-KXBFYZLASA-N 1 0 312.461 2.908 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCCCOc2ccc(C)cc2)CC1 ZINC000159792888 197364629 /nfs/dbraw/zinc/36/46/29/197364629.db2.gz CRBWREJGWAPLLI-UHFFFAOYSA-N 1 0 319.449 2.501 20 70 DFIDRO CC(=O)c1cnc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)s1 ZINC000159507128 197358701 /nfs/dbraw/zinc/35/87/01/197358701.db2.gz KUSZRFQVAOLQRF-RNCFNFMXSA-N 1 0 303.387 2.620 20 70 DFIDRO CCN(CC[NH2+][C@H](C)c1cnn(CC)c1)C(=O)OC(C)(C)C ZINC000159475209 197357107 /nfs/dbraw/zinc/35/71/07/197357107.db2.gz VQCYYXHPKBVNBI-CYBMUJFWSA-N 1 0 310.442 2.811 20 70 DFIDRO COc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000159560962 197361353 /nfs/dbraw/zinc/36/13/53/197361353.db2.gz WIJUSUYHXRQEDM-COXVUDFISA-N 1 0 303.402 2.751 20 70 DFIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(OC(F)F)cc1 ZINC000159561657 197361444 /nfs/dbraw/zinc/36/14/44/197361444.db2.gz LPHKWDBYSHUMKB-GFCCVEGCSA-N 1 0 312.360 2.951 20 70 DFIDRO O=C1CCCN1CCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000159463959 197356306 /nfs/dbraw/zinc/35/63/06/197356306.db2.gz UIKREDXQJFJSDT-AWEZNQCLSA-N 1 0 308.422 2.965 20 70 DFIDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000159451646 197354510 /nfs/dbraw/zinc/35/45/10/197354510.db2.gz JBLDMXWNOOBQAF-KCPJHIHWSA-N 1 0 310.825 2.674 20 70 DFIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000159442627 197354129 /nfs/dbraw/zinc/35/41/29/197354129.db2.gz WLHQSFUMBXUNJY-IUCAKERBSA-N 1 0 305.205 2.633 20 70 DFIDRO O=C(Nc1ccc(F)nc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000159478449 197356804 /nfs/dbraw/zinc/35/68/04/197356804.db2.gz FQZCUUOXEUGEHR-IUODEOHRSA-N 1 0 318.396 2.701 20 70 DFIDRO COc1cccc(C2(CNC(=O)[C@@H]3CCC[NH2+]C3)CCCC2)c1 ZINC000159477086 197356836 /nfs/dbraw/zinc/35/68/36/197356836.db2.gz MFJMZBRICCNGMB-OAHLLOKOSA-N 1 0 316.445 2.623 20 70 DFIDRO COCCN(C)CC[NH2+][C@@H](C)c1cccc(-c2ccncc2)c1 ZINC000159431547 197353030 /nfs/dbraw/zinc/35/30/30/197353030.db2.gz FDTYXVXAKZONBF-INIZCTEOSA-N 1 0 313.445 2.977 20 70 DFIDRO COC(=O)C1([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000159411654 197351306 /nfs/dbraw/zinc/35/13/06/197351306.db2.gz KZJKIFXRLBTYEV-UHFFFAOYSA-N 1 0 306.362 2.555 20 70 DFIDRO CCc1nnc(C[NH2+][C@@](C)(CC)COc2ncccc2Cl)[nH]1 ZINC000159413533 197351600 /nfs/dbraw/zinc/35/16/00/197351600.db2.gz LIFMKUGUSZXSGV-HNNXBMFYSA-N 1 0 323.828 2.753 20 70 DFIDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc(C[NH3+])o1 ZINC000159454824 542718010 /nfs/dbraw/zinc/71/80/10/542718010.db2.gz PHMLPLQSKCRDBQ-ZUZCIYMTSA-N 1 0 322.792 2.898 20 70 DFIDRO C[C@H](CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccncc1 ZINC000160615639 542723470 /nfs/dbraw/zinc/72/34/70/542723470.db2.gz NDDWZPUPNJWXBQ-HZPDHXFCSA-N 1 0 301.434 2.520 20 70 DFIDRO CCCCn1ncc(NC(=O)NC2CC[NH+](C3CC3)CC2)c1C ZINC000159624143 542718820 /nfs/dbraw/zinc/71/88/20/542718820.db2.gz YCYKURDTCXIYBN-UHFFFAOYSA-N 1 0 319.453 2.740 20 70 DFIDRO Cc1nccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1Cl ZINC000159861165 542720126 /nfs/dbraw/zinc/72/01/26/542720126.db2.gz LUARYCVADZWSNK-CYBMUJFWSA-N 1 0 310.829 2.847 20 70 DFIDRO CCn1nccc1C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000160003318 542720137 /nfs/dbraw/zinc/72/01/37/542720137.db2.gz KADHJWSANROGMR-LBPRGKRZSA-N 1 0 319.405 2.780 20 70 DFIDRO Cc1nc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)cs1 ZINC000160063324 542720955 /nfs/dbraw/zinc/72/09/55/542720955.db2.gz XXCWQRKSFRRULX-UHFFFAOYSA-N 1 0 324.494 2.715 20 70 DFIDRO C[C@H](CCO)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160341289 542722988 /nfs/dbraw/zinc/72/29/88/542722988.db2.gz KNCQBPSTPQPHLJ-SNVBAGLBSA-N 1 0 309.207 2.858 20 70 DFIDRO CCOc1ccccc1OCCCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161174470 542727619 /nfs/dbraw/zinc/72/76/19/542727619.db2.gz ROEJKMXAMKGGGN-LSDHHAIUSA-N 1 0 320.433 2.630 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000161239209 542727830 /nfs/dbraw/zinc/72/78/30/542727830.db2.gz RXDMRIUMEDVSJM-WDEREUQCSA-N 1 0 321.471 2.800 20 70 DFIDRO Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161217072 542727984 /nfs/dbraw/zinc/72/79/84/542727984.db2.gz NSYAFFKNCFAAEO-WDEREUQCSA-N 1 0 305.403 2.711 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(F)ccc2Br)C1 ZINC000161349355 542728573 /nfs/dbraw/zinc/72/85/73/542728573.db2.gz SSTUHTCEDHPPSM-VHSXEESVSA-N 1 0 315.186 2.588 20 70 DFIDRO CC(C)Oc1ccc(CCNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000161353833 542728689 /nfs/dbraw/zinc/72/86/89/542728689.db2.gz ZPRNWNGGDHXYER-GOSISDBHSA-N 1 0 304.434 2.522 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCCOc2ccc(Cl)cc2)C1 ZINC000161302463 542728744 /nfs/dbraw/zinc/72/87/44/542728744.db2.gz TVWNKIBKPZGDCW-UONOGXRCSA-N 1 0 310.825 2.885 20 70 DFIDRO C[C@]1(C(=O)NCCc2ccc(C(F)(F)F)cc2)CCC[NH2+]C1 ZINC000161300964 542728962 /nfs/dbraw/zinc/72/89/62/542728962.db2.gz ZVUWABBEPGOFGR-HNNXBMFYSA-N 1 0 314.351 2.754 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2csc(-c3ccc(F)cc3)n2)C1 ZINC000161433414 542729249 /nfs/dbraw/zinc/72/92/49/542729249.db2.gz GUJWRLCCKJQFAZ-QWHCGFSZSA-N 1 0 319.405 2.949 20 70 DFIDRO CCC[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1)c1ccccc1 ZINC000160746746 542724194 /nfs/dbraw/zinc/72/41/94/542724194.db2.gz WBMLNQIIDFMAIC-WBAXXEDZSA-N 1 0 318.461 2.735 20 70 DFIDRO Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160771798 542724710 /nfs/dbraw/zinc/72/47/10/542724710.db2.gz HYSVNDNOIBRCGO-HUUCEWRRSA-N 1 0 311.429 2.780 20 70 DFIDRO Cc1c(Br)cccc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160890757 542725096 /nfs/dbraw/zinc/72/50/96/542725096.db2.gz GEKPNZLZKZSRNR-WDEREUQCSA-N 1 0 311.223 2.757 20 70 DFIDRO CCO[C@@H]1C[C@H](N(C)C(=O)CC2([NH3+])CCC2)C12CCCCC2 ZINC000161022597 542726407 /nfs/dbraw/zinc/72/64/07/542726407.db2.gz XZOXXCSGHCDVAK-LSDHHAIUSA-N 1 0 308.466 2.844 20 70 DFIDRO Cc1ccc(NC(=O)NC2CC=CC2)c(OCC[NH+](C)C)c1 ZINC000161061160 542726894 /nfs/dbraw/zinc/72/68/94/542726894.db2.gz WWMXBFOGOYSADV-UHFFFAOYSA-N 1 0 303.406 2.776 20 70 DFIDRO CCOc1ccc(CNC(=O)NCCC[NH+](CC)CC)cc1 ZINC000217300892 542876632 /nfs/dbraw/zinc/87/66/32/542876632.db2.gz OABKRYQLHLMZIU-UHFFFAOYSA-N 1 0 307.438 2.616 20 70 DFIDRO CC(C)n1nccc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000160349745 145220773 /nfs/dbraw/zinc/22/07/73/145220773.db2.gz VZQSZPFEQWVPAM-RHSMWYFYSA-N 1 0 306.454 2.704 20 70 DFIDRO COCCC1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000161034464 292296505 /nfs/dbraw/zinc/29/65/05/292296505.db2.gz HZCGHJGXZXNFTM-MRXNPFEDSA-N 1 0 304.434 2.531 20 70 DFIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000159689554 267530878 /nfs/dbraw/zinc/53/08/78/267530878.db2.gz HMIRHFACBSITSC-YPMHNXCESA-N 1 0 304.287 2.687 20 70 DFIDRO CCSCc1cccc(NC(=O)C2(OC)CC[NH2+]CC2)c1 ZINC000160425244 267537918 /nfs/dbraw/zinc/53/79/18/267537918.db2.gz KXBPSPLBKMPWQS-UHFFFAOYSA-N 1 0 308.447 2.647 20 70 DFIDRO CCC[NH+]1CCC(NC(=O)c2ccnn2C(CC)CC)CC1 ZINC000160814225 267542015 /nfs/dbraw/zinc/54/20/15/267542015.db2.gz BJHOQAIKWYXBAM-UHFFFAOYSA-N 1 0 306.454 2.848 20 70 DFIDRO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000216656726 268138287 /nfs/dbraw/zinc/13/82/87/268138287.db2.gz DEANYCAUMZJDFI-RWMBFGLXSA-N 1 0 310.825 2.626 20 70 DFIDRO CCC(CC)(C[NH2+]C1CCOCC1)NC(=O)OC(C)(C)C ZINC000217696391 268138700 /nfs/dbraw/zinc/13/87/00/268138700.db2.gz HCZZWKKVVIYTSI-UHFFFAOYSA-N 1 0 300.443 2.839 20 70 DFIDRO C[NH2+][C@@H]1CCN(Cc2ccc(Br)c3cccnc23)C1 ZINC000160383279 425980548 /nfs/dbraw/zinc/98/05/48/425980548.db2.gz YWAIFDDWOLVBIJ-GFCCVEGCSA-N 1 0 320.234 2.791 20 70 DFIDRO CCCCc1ccc(C(=O)CCC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000160383189 425980616 /nfs/dbraw/zinc/98/06/16/425980616.db2.gz PAMDAVHJCWEPKL-KRWDZBQOSA-N 1 0 316.445 2.942 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCOc3ccc(F)cc31)CC2 ZINC000160362447 425980967 /nfs/dbraw/zinc/98/09/67/425980967.db2.gz UCWOSBFLZRBKCF-UKRRQHHQSA-N 1 0 316.380 2.544 20 70 DFIDRO COCC(C)(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000160428148 425981806 /nfs/dbraw/zinc/98/18/06/425981806.db2.gz DLGSRWHBSTVPGV-UHFFFAOYSA-N 1 0 318.461 2.961 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1cc(Br)cs1 ZINC000160417640 425982059 /nfs/dbraw/zinc/98/20/59/425982059.db2.gz ZRZZOALSMOCNQY-UHFFFAOYSA-N 1 0 305.241 2.758 20 70 DFIDRO CN(CCc1nccs1)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000161015051 426005657 /nfs/dbraw/zinc/00/56/57/426005657.db2.gz LRIUSKQEYRDNCV-UHFFFAOYSA-N 1 0 307.438 2.889 20 70 DFIDRO Cc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)ccc1-n1cncn1 ZINC000160429982 425982533 /nfs/dbraw/zinc/98/25/33/425982533.db2.gz PDZKYSKIBPEGSJ-HNNXBMFYSA-N 1 0 300.406 2.623 20 70 DFIDRO CCC([NH3+])(CC)CNC(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000160456996 425982954 /nfs/dbraw/zinc/98/29/54/425982954.db2.gz AKWISZVSTVYVNV-UHFFFAOYSA-N 1 0 320.824 2.773 20 70 DFIDRO CC1CCN(c2ccc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)cn2)CC1 ZINC000160467833 425983708 /nfs/dbraw/zinc/98/37/08/425983708.db2.gz OKWFORDJPVGFRN-AEFFLSMTSA-N 1 0 316.493 2.890 20 70 DFIDRO Cc1ccc(C(=O)CC[NH+]2CCC(Cn3ccnn3)CC2)cc1 ZINC000161010746 426005683 /nfs/dbraw/zinc/00/56/83/426005683.db2.gz UHUNROSCTVUAML-UHFFFAOYSA-N 1 0 312.417 2.572 20 70 DFIDRO CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160525233 425984996 /nfs/dbraw/zinc/98/49/96/425984996.db2.gz GZINWWXSQGJBIR-IEBWSBKVSA-N 1 0 316.445 2.515 20 70 DFIDRO Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CC(=O)Nc3ccccc32)c(C)n1 ZINC000160593121 425988228 /nfs/dbraw/zinc/98/82/28/425988228.db2.gz WYCYNYCOMOPJOB-RISCZKNCSA-N 1 0 310.401 2.870 20 70 DFIDRO CC(=O)Nc1ccccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000160586738 425989237 /nfs/dbraw/zinc/98/92/37/425989237.db2.gz WXESHWUHMHNHDX-NVXWUHKLSA-N 1 0 320.458 2.789 20 70 DFIDRO Cc1c([C@H](C)[NH2+]CC(C)(C)O)nnn1-c1ccc(Cl)cc1 ZINC000160625710 425989835 /nfs/dbraw/zinc/98/98/35/425989835.db2.gz KVMSRKVCGMWVNO-JTQLQIEISA-N 1 0 308.813 2.651 20 70 DFIDRO CC(C)CCn1ccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000160610967 425990203 /nfs/dbraw/zinc/99/02/03/425990203.db2.gz VOQQAWNDRDYYEH-HNNXBMFYSA-N 1 0 321.469 2.925 20 70 DFIDRO CC[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CCOC1 ZINC000160753360 425994546 /nfs/dbraw/zinc/99/45/46/425994546.db2.gz QSXWRIYRVARVPF-SQNIBIBYSA-N 1 0 316.445 2.755 20 70 DFIDRO CCCC[N@H+](CC(C)(C)CCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000160795588 425996917 /nfs/dbraw/zinc/99/69/17/425996917.db2.gz LMHJBNUNHQYYHH-AWEZNQCLSA-N 1 0 300.468 2.606 20 70 DFIDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2nccn2C(C)C)C1 ZINC000160846668 425997436 /nfs/dbraw/zinc/99/74/36/425997436.db2.gz HPNYILZWWBDYNX-HOTGVXAUSA-N 1 0 320.481 2.981 20 70 DFIDRO C[C@H]([NH3+])C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000160853952 425998649 /nfs/dbraw/zinc/99/86/49/425998649.db2.gz TXDKWAJVBBIBIN-LAJNKCICSA-N 1 0 308.447 2.554 20 70 DFIDRO CC(C)(C)[S@](=O)Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000160861811 425998953 /nfs/dbraw/zinc/99/89/53/425998953.db2.gz ZLHPZGLBCFIVQQ-PEBXRYMYSA-N 1 0 322.474 2.672 20 70 DFIDRO CCc1ccc(/C=C/C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](CC)C3)o1 ZINC000160877919 425999162 /nfs/dbraw/zinc/99/91/62/425999162.db2.gz PLULGPWYYAXDIR-LWLVDVGCSA-N 1 0 302.418 2.940 20 70 DFIDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000160902850 425999872 /nfs/dbraw/zinc/99/98/72/425999872.db2.gz UMXUHXAOTDIOMM-YXJHDRRASA-N 1 0 314.433 2.979 20 70 DFIDRO CN(C(=O)c1ccc[nH]1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160885189 426000525 /nfs/dbraw/zinc/00/05/25/426000525.db2.gz YHYUSHPZWFNDCJ-UHFFFAOYSA-N 1 0 313.401 2.766 20 70 DFIDRO C[C@@H]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160941748 426002812 /nfs/dbraw/zinc/00/28/12/426002812.db2.gz JHOAIIDWIDYQEJ-HZPDHXFCSA-N 1 0 315.461 2.989 20 70 DFIDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160999969 426004108 /nfs/dbraw/zinc/00/41/08/426004108.db2.gz UUYHKUKAINFODG-HOCLYGCPSA-N 1 0 310.482 2.506 20 70 DFIDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(F)cc1F ZINC000160998855 426004654 /nfs/dbraw/zinc/00/46/54/426004654.db2.gz PNWAXVVWBBNOAT-NHYWBVRUSA-N 1 0 309.360 2.766 20 70 DFIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000160997474 426004746 /nfs/dbraw/zinc/00/47/46/426004746.db2.gz HKGYLHLHKPOQSR-SNVBAGLBSA-N 1 0 304.312 2.760 20 70 DFIDRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccn1 ZINC000159381217 425959442 /nfs/dbraw/zinc/95/94/42/425959442.db2.gz QAMKHPJSIBQMIF-HOCLYGCPSA-N 1 0 301.434 2.913 20 70 DFIDRO COC[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2C#N)C1)C(C)C ZINC000159498735 425962167 /nfs/dbraw/zinc/96/21/67/425962167.db2.gz KQPPVXCAIQCXOV-IAGOWNOFSA-N 1 0 301.434 2.788 20 70 DFIDRO C=CCOc1ccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000159516139 425962310 /nfs/dbraw/zinc/96/23/10/425962310.db2.gz KALKNGISZSYSLI-OCCSQVGLSA-N 1 0 322.836 2.991 20 70 DFIDRO C[C@H](CNc1ccnc2c(F)cc(F)cc12)C[NH+]1CCOCC1 ZINC000159575404 425963385 /nfs/dbraw/zinc/96/33/85/425963385.db2.gz WTMGEGTWIAKFDQ-GFCCVEGCSA-N 1 0 321.371 2.893 20 70 DFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nc(-c2ccccc2)cs1 ZINC000159592683 425963537 /nfs/dbraw/zinc/96/35/37/425963537.db2.gz OXNUPJALVYJUNO-TZMCWYRMSA-N 1 0 315.442 2.896 20 70 DFIDRO O=C(CSCc1cccnc1)NCC[NH2+]C1CCCCCC1 ZINC000159650770 425965010 /nfs/dbraw/zinc/96/50/10/425965010.db2.gz OSCAMUMBHMRZPQ-UHFFFAOYSA-N 1 0 321.490 2.743 20 70 DFIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000159666243 425965702 /nfs/dbraw/zinc/96/57/02/425965702.db2.gz NYPQIKPNHXGJPA-ZYHUDNBSSA-N 1 0 316.323 2.671 20 70 DFIDRO CC(C)N(CC[NH+](C)C)C(=O)NCC1(Cc2ccccc2)CC1 ZINC000159803627 425967274 /nfs/dbraw/zinc/96/72/74/425967274.db2.gz DZNFACIJUARZJE-UHFFFAOYSA-N 1 0 317.477 2.991 20 70 DFIDRO COCc1cc(C[NH2+]C2CCC(NC(C)=O)CC2)ccc1F ZINC000161029087 426005222 /nfs/dbraw/zinc/00/52/22/426005222.db2.gz UORJMQXUIPBBRV-UHFFFAOYSA-N 1 0 308.397 2.509 20 70 DFIDRO OCCCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161028288 426005232 /nfs/dbraw/zinc/00/52/32/426005232.db2.gz VTPJSSBZRURGAQ-LSDHHAIUSA-N 1 0 317.351 2.976 20 70 DFIDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CCCCO1 ZINC000159849358 425968929 /nfs/dbraw/zinc/96/89/29/425968929.db2.gz YCGRDLLLSIORDL-MRXNPFEDSA-N 1 0 308.466 2.861 20 70 DFIDRO C=C(C)CN(CC)C(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159897457 425970640 /nfs/dbraw/zinc/97/06/40/425970640.db2.gz RJFXZISQRWCRBH-UHFFFAOYSA-N 1 0 309.479 2.821 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)CC1 ZINC000159917427 425970756 /nfs/dbraw/zinc/97/07/56/425970756.db2.gz RFVZKGJWKDBTTF-QGZVFWFLSA-N 1 0 317.477 2.972 20 70 DFIDRO CCOc1cc(C)ccc1CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159971621 425972082 /nfs/dbraw/zinc/97/20/82/425972082.db2.gz PUWKGHIYRKXOTD-UHFFFAOYSA-N 1 0 319.449 2.631 20 70 DFIDRO C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cnn(C)c1 ZINC000159995061 425972429 /nfs/dbraw/zinc/97/24/29/425972429.db2.gz HFKXYORCSZTEOE-GFCCVEGCSA-N 1 0 318.387 2.735 20 70 DFIDRO C[C@H]1C[C@@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CCN1C ZINC000160000537 425973326 /nfs/dbraw/zinc/97/33/26/425973326.db2.gz CYJJNKKOMBVYIG-RDJZCZTQSA-N 1 0 323.525 2.686 20 70 DFIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000161003418 426005428 /nfs/dbraw/zinc/00/54/28/426005428.db2.gz CSHALMCLNADTMC-CYBMUJFWSA-N 1 0 316.323 2.687 20 70 DFIDRO Cc1nc(CCNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)sc1C ZINC000160093647 425974291 /nfs/dbraw/zinc/97/42/91/425974291.db2.gz YTLLVUYFQOCMRI-LOWVWBTDSA-N 1 0 309.479 2.680 20 70 DFIDRO CC[C@H](C)N(C)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000160101599 425974370 /nfs/dbraw/zinc/97/43/70/425974370.db2.gz JQBUJBFJGLMUSE-INIZCTEOSA-N 1 0 319.493 2.984 20 70 DFIDRO Cc1nc2ccccn2c1C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000160065584 425974407 /nfs/dbraw/zinc/97/44/07/425974407.db2.gz GWSWUNNPKABLBO-UHFFFAOYSA-N 1 0 323.444 2.831 20 70 DFIDRO CCCCn1ncc(NC(=O)NC[C@H](C)[NH+](CC)CC)c1C ZINC000160125718 425975275 /nfs/dbraw/zinc/97/52/75/425975275.db2.gz RYRSGDXTSAXPMG-ZDUSSCGKSA-N 1 0 309.458 2.843 20 70 DFIDRO COC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C(C)C ZINC000160178586 425976007 /nfs/dbraw/zinc/97/60/07/425976007.db2.gz KDCZJBALPLTKPF-WBVHZDCISA-N 1 0 319.424 2.927 20 70 DFIDRO Cn1cc(N2CCC[C@H]([N@H+](C)CCC3CCCCC3)C2=O)cn1 ZINC000160194220 425976184 /nfs/dbraw/zinc/97/61/84/425976184.db2.gz XLFIJORPJDEQBH-KRWDZBQOSA-N 1 0 318.465 2.818 20 70 DFIDRO Cn1cc(N2CCC[C@@H]([N@H+](C)CCC3CCCCC3)C2=O)cn1 ZINC000160194351 425976395 /nfs/dbraw/zinc/97/63/95/425976395.db2.gz XLFIJORPJDEQBH-QGZVFWFLSA-N 1 0 318.465 2.818 20 70 DFIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cccc(OC2CCCCC2)c1 ZINC000160216999 425976844 /nfs/dbraw/zinc/97/68/44/425976844.db2.gz GQXLTAWIKJCVGP-OAHLLOKOSA-N 1 0 302.418 2.961 20 70 DFIDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCC2(CCC2)C1 ZINC000160239905 425978218 /nfs/dbraw/zinc/97/82/18/425978218.db2.gz OOPUJSJEVUFYMG-UHFFFAOYSA-N 1 0 313.445 2.630 20 70 DFIDRO c1nc(N[C@@H]2CCO[C@@H](C3CC3)C2)cc(N2CCCCC2)n1 ZINC000160316899 425979176 /nfs/dbraw/zinc/97/91/76/425979176.db2.gz HXBUOPWLYQKYLH-HUUCEWRRSA-N 1 0 302.422 2.836 20 70 DFIDRO C[C@@H]1C[C@H](NC(=O)N(C)C2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000160332536 425979234 /nfs/dbraw/zinc/97/92/34/425979234.db2.gz ZUMWYEQMOMVZMY-ZBFHGGJFSA-N 1 0 301.434 2.843 20 70 DFIDRO Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160350986 425980233 /nfs/dbraw/zinc/98/02/33/425980233.db2.gz HDAVMLRAZOLKRX-GDBMZVCRSA-N 1 0 304.434 2.835 20 70 DFIDRO CN1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000161425034 426022622 /nfs/dbraw/zinc/02/26/22/426022622.db2.gz MXFVXAYZWFKKOX-INIZCTEOSA-N 1 0 303.406 2.600 20 70 DFIDRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1F ZINC000161411200 426023369 /nfs/dbraw/zinc/02/33/69/426023369.db2.gz OHWQEWHZPVVWDL-CYBMUJFWSA-N 1 0 318.371 2.882 20 70 DFIDRO Cc1ccccc1[C@@H]1CN(C(=O)CC[NH2+]C(C)C)[C@@H](C)CO1 ZINC000161468852 426025373 /nfs/dbraw/zinc/02/53/73/426025373.db2.gz GDVUQBFILBZOTB-RDJZCZTQSA-N 1 0 304.434 2.672 20 70 DFIDRO COc1ccccc1[C@@H](C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161486619 426026433 /nfs/dbraw/zinc/02/64/33/426026433.db2.gz FILVMWGTJUSWEU-LSVZVQIISA-N 1 0 316.445 2.930 20 70 DFIDRO C[C@@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H]1c1cccc(F)c1 ZINC000161485604 426026969 /nfs/dbraw/zinc/02/69/69/426026969.db2.gz VINXYTKLLXXKJR-SKDZVZGDSA-N 1 0 320.408 2.504 20 70 DFIDRO COC[C@H]([NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1)C1CC1 ZINC000161057407 426006509 /nfs/dbraw/zinc/00/65/09/426006509.db2.gz NXAXXWSLNQFCPE-SFHVURJKSA-N 1 0 316.445 2.614 20 70 DFIDRO CCS(=O)(=O)c1ccccc1NCC1([NH+](C)C)CCCC1 ZINC000161044213 426007134 /nfs/dbraw/zinc/00/71/34/426007134.db2.gz FLUUAFRSMWEZIZ-UHFFFAOYSA-N 1 0 310.463 2.767 20 70 DFIDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(F)n1 ZINC000161092157 426008596 /nfs/dbraw/zinc/00/85/96/426008596.db2.gz SWMHYJXYPUAMSU-ZDUSSCGKSA-N 1 0 319.405 2.849 20 70 DFIDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)NCCc2cccs2)CC1 ZINC000161161321 426010951 /nfs/dbraw/zinc/01/09/51/426010951.db2.gz HBSPTYWDFSUNHX-CQSZACIVSA-N 1 0 321.490 2.949 20 70 DFIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2c[nH]nc2-c2ccccc2)[C@@H](C)C1 ZINC000161152112 426011449 /nfs/dbraw/zinc/01/14/49/426011449.db2.gz AFNGBKLDFCSEDR-BBRMVZONSA-N 1 0 312.417 2.535 20 70 DFIDRO C=C(C)CNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000161186135 426012345 /nfs/dbraw/zinc/01/23/45/426012345.db2.gz QFOJNDTYUBBXNO-INIZCTEOSA-N 1 0 317.433 2.707 20 70 DFIDRO CCCCn1ncc(C(=O)NCCC[NH+]2CCC(C)CC2)c1C ZINC000161204299 426012424 /nfs/dbraw/zinc/01/24/24/426012424.db2.gz SIMRWQFQLWCTOP-UHFFFAOYSA-N 1 0 320.481 2.843 20 70 DFIDRO CC(C)(CNC(=O)N[C@H]1CCOC(C)(C)C1)[NH+]1CCCCC1 ZINC000161255320 426014744 /nfs/dbraw/zinc/01/47/44/426014744.db2.gz OUVBGRXKJIGZEM-AWEZNQCLSA-N 1 0 311.470 2.508 20 70 DFIDRO Cc1ccc(C)c([C@@H]2CN(C(=O)C[NH2+]CC3CC3)[C@@H](C)CO2)c1 ZINC000161274745 426015870 /nfs/dbraw/zinc/01/58/70/426015870.db2.gz AGCWABKTIXKCAC-YJBOKZPZSA-N 1 0 316.445 2.591 20 70 DFIDRO CCc1ccc(/C=C/C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)o1 ZINC000161266306 426015923 /nfs/dbraw/zinc/01/59/23/426015923.db2.gz YEHOHCQSWVKLDF-QETWALASSA-N 1 0 302.418 2.798 20 70 DFIDRO Cc1noc(Cl)c1CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000161296120 426016817 /nfs/dbraw/zinc/01/68/17/426016817.db2.gz KLNNCOXFOFGHPA-UHFFFAOYSA-N 1 0 313.829 2.560 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1coc2c1ccc(C)c2C ZINC000161296910 426017007 /nfs/dbraw/zinc/01/70/07/426017007.db2.gz QFLHKMNOCGYTEQ-OAHLLOKOSA-N 1 0 300.402 2.803 20 70 DFIDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000161321537 426018877 /nfs/dbraw/zinc/01/88/77/426018877.db2.gz WMLZCUCYSVRMHM-NJZAAPMLSA-N 1 0 308.372 2.526 20 70 DFIDRO Cc1cc(C)cc(OCCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000161339774 426019446 /nfs/dbraw/zinc/01/94/46/426019446.db2.gz OEOQGAOBOWVPII-SJPCQFCGSA-N 1 0 316.445 2.814 20 70 DFIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)C[C@@](C)(O)CC ZINC000161331362 426020033 /nfs/dbraw/zinc/02/00/33/426020033.db2.gz KEKRYJSVEXIJGT-SFHVURJKSA-N 1 0 305.466 2.781 20 70 DFIDRO Cc1nccn1CCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000161344226 426020095 /nfs/dbraw/zinc/02/00/95/426020095.db2.gz KPLMPAHXFPBHPY-LJQANCHMSA-N 1 0 312.461 2.960 20 70 DFIDRO COC(=O)CC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161388325 426021612 /nfs/dbraw/zinc/02/16/12/426021612.db2.gz JKVAVSBYTCJANJ-UHFFFAOYSA-N 1 0 301.390 2.504 20 70 DFIDRO Cc1ccc(OCCCCNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000161375466 426021872 /nfs/dbraw/zinc/02/18/72/426021872.db2.gz RQOBCDDXFXZWGY-SFHVURJKSA-N 1 0 304.434 2.660 20 70 DFIDRO Cn1nccc1C[NH2+]CCc1ccc(Br)s1 ZINC000218239373 426567509 /nfs/dbraw/zinc/56/75/09/426567509.db2.gz FPTLVNDQDWYYFB-UHFFFAOYSA-N 1 0 300.225 2.576 20 70 DFIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(OC)cc1 ZINC000160420302 276440187 /nfs/dbraw/zinc/44/01/87/276440187.db2.gz INYSOBHKOIMWNU-GDBMZVCRSA-N 1 0 300.406 2.651 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000161339515 277027794 /nfs/dbraw/zinc/02/77/94/277027794.db2.gz PRZDKVMJRVQUFQ-OLZOCXBDSA-N 1 0 310.825 2.626 20 70 DFIDRO COC[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)C1CC1 ZINC000160514763 277248532 /nfs/dbraw/zinc/24/85/32/277248532.db2.gz HKHFNJHULFPNOL-QGZVFWFLSA-N 1 0 303.450 2.833 20 70 DFIDRO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(OC(C)C)cc1 ZINC000161222825 277276204 /nfs/dbraw/zinc/27/62/04/277276204.db2.gz ZMPYVMYXRMNSHA-KXKDPZRNSA-N 1 0 302.418 2.697 20 70 DFIDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@H]([NH3+])C(C)C)cc1 ZINC000161103196 278852443 /nfs/dbraw/zinc/85/24/43/278852443.db2.gz GQZABGWISMJXBU-ZACQAIPSSA-N 1 0 304.434 2.562 20 70 DFIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000160472303 279141711 /nfs/dbraw/zinc/14/17/11/279141711.db2.gz IILVGCKPJMKGFY-HOCLYGCPSA-N 1 0 324.428 2.937 20 70 DFIDRO C[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160805114 279208501 /nfs/dbraw/zinc/20/85/01/279208501.db2.gz SIXJHOLJBFQQDF-DOEOUOAPSA-N 1 0 322.493 2.506 20 70 DFIDRO Cc1cc(C)cc(-c2nnc(NC(=O)[C@@H]3CCC[NH2+]C3)s2)c1 ZINC000160117558 280413044 /nfs/dbraw/zinc/41/30/44/280413044.db2.gz ZFRYBJQAQAAZSF-GFCCVEGCSA-N 1 0 316.430 2.760 20 70 DFIDRO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCOCC1 ZINC000160914751 289304249 /nfs/dbraw/zinc/30/42/49/289304249.db2.gz RAKHPNSOCHQGPD-LESCRADOSA-N 1 0 320.477 2.524 20 70 DFIDRO Cc1c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cnn1CC(C)C ZINC000159491559 295377478 /nfs/dbraw/zinc/37/74/78/295377478.db2.gz JHDDFZZUZUMWHX-OAHLLOKOSA-N 1 0 320.481 2.699 20 70 DFIDRO CN(Cc1nccn1C(F)F)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000159601260 295378887 /nfs/dbraw/zinc/37/88/87/295378887.db2.gz VPHINXMAPCIQQB-UHFFFAOYSA-N 1 0 322.359 2.612 20 70 DFIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000159640477 295379525 /nfs/dbraw/zinc/37/95/25/295379525.db2.gz OVFWEFKOILGTPG-SWLSCSKDSA-N 1 0 324.469 2.670 20 70 DFIDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCC(C)(C)O ZINC000159727173 295380766 /nfs/dbraw/zinc/38/07/66/295380766.db2.gz OMBBAPUWWWHJKI-VIFPVBQESA-N 1 0 307.360 2.874 20 70 DFIDRO CCCCn1ncc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1C ZINC000159770128 295381617 /nfs/dbraw/zinc/38/16/17/295381617.db2.gz MFBOQXISBQNNNJ-HNNXBMFYSA-N 1 0 321.469 2.940 20 70 DFIDRO NC(=O)CC1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000159791174 295381816 /nfs/dbraw/zinc/38/18/16/295381816.db2.gz KAPPYMMRADTKDQ-UHFFFAOYSA-N 1 0 309.413 2.836 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCc3c2cccc3C)CC1 ZINC000159824977 295382201 /nfs/dbraw/zinc/38/22/01/295382201.db2.gz WAXRMWZMDIWMFI-QGZVFWFLSA-N 1 0 301.434 2.720 20 70 DFIDRO Cc1ccc(Br)c(C(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000159841754 295382481 /nfs/dbraw/zinc/38/24/81/295382481.db2.gz IKFHOEYENQVJQB-ZDUSSCGKSA-N 1 0 311.223 2.567 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCc3ccc(F)cc32)CC1 ZINC000159830281 295382500 /nfs/dbraw/zinc/38/25/00/295382500.db2.gz BFBLWKVUAZMWLQ-INIZCTEOSA-N 1 0 305.397 2.550 20 70 DFIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)C(=O)c1ccc(C)cc1 ZINC000160111105 295386581 /nfs/dbraw/zinc/38/65/81/295386581.db2.gz FJNLXKDMVZLLRH-HNNXBMFYSA-N 1 0 304.434 2.804 20 70 DFIDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000160253526 295388837 /nfs/dbraw/zinc/38/88/37/295388837.db2.gz BBIFWDJEJBOFGP-CYBMUJFWSA-N 1 0 317.408 2.840 20 70 DFIDRO CSC[C@H](C)NC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000160419442 295391177 /nfs/dbraw/zinc/39/11/77/295391177.db2.gz NGLLFDAIUJKLRL-AWEZNQCLSA-N 1 0 315.527 2.891 20 70 DFIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000160486444 295392088 /nfs/dbraw/zinc/39/20/88/295392088.db2.gz MLGUCHLISODDIJ-CYBMUJFWSA-N 1 0 316.405 2.520 20 70 DFIDRO CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000160531035 295392305 /nfs/dbraw/zinc/39/23/05/295392305.db2.gz UJNGPPNTUHJVSU-OAHLLOKOSA-N 1 0 310.482 2.961 20 70 DFIDRO CC[C@H](CCO)[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000160547226 295392348 /nfs/dbraw/zinc/39/23/48/295392348.db2.gz ZWSJEMLOBWSSIV-ZNMIVQPWSA-N 1 0 314.470 2.915 20 70 DFIDRO O=C(NCC1(c2cccc(F)c2)CC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000160544549 295392503 /nfs/dbraw/zinc/39/25/03/295392503.db2.gz VDEWQIPFMCGALO-GOSISDBHSA-N 1 0 324.399 2.861 20 70 DFIDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1cnn(C)c1C ZINC000160632319 295393905 /nfs/dbraw/zinc/39/39/05/295393905.db2.gz SMZGPXWMGYFROJ-UHFFFAOYSA-N 1 0 323.444 2.945 20 70 DFIDRO Cc1[nH]c2ccccc2c1C1CCN(Cc2nncn2C)CC1 ZINC000160821094 295395345 /nfs/dbraw/zinc/39/53/45/295395345.db2.gz JZVUIHZFTNGSCA-UHFFFAOYSA-N 1 0 309.417 2.984 20 70 DFIDRO C[N@H+](CC(=O)NCC(C)(C)Cc1ccccc1)[C@@H]1CCSC1 ZINC000160910830 295396267 /nfs/dbraw/zinc/39/62/67/295396267.db2.gz MCFAVBARMMJKCB-MRXNPFEDSA-N 1 0 320.502 2.809 20 70 DFIDRO CC(C)n1cccc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000161073313 295398201 /nfs/dbraw/zinc/39/82/01/295398201.db2.gz OMEXZEZIMWUJIA-KRWDZBQOSA-N 1 0 313.445 2.972 20 70 DFIDRO CC(C)C[C@H](C[NH3+])NC(=O)c1c(F)cccc1Br ZINC000161096679 295398496 /nfs/dbraw/zinc/39/84/96/295398496.db2.gz DRLJEUASOVGDHL-SECBINFHSA-N 1 0 317.202 2.691 20 70 DFIDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1c(F)cccc1Br ZINC000161096552 295398529 /nfs/dbraw/zinc/39/85/29/295398529.db2.gz DRLJEUASOVGDHL-VIFPVBQESA-N 1 0 317.202 2.691 20 70 DFIDRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)CC[NH2+]C(C)C)cc1 ZINC000161101368 295398747 /nfs/dbraw/zinc/39/87/47/295398747.db2.gz BVPMZNZIKXNNKD-IEBWSBKVSA-N 1 0 318.461 2.967 20 70 DFIDRO CS(=O)(=O)CCCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000161213005 295400037 /nfs/dbraw/zinc/40/00/37/295400037.db2.gz MMQCIXBTVMDEJA-KRWDZBQOSA-N 1 0 318.442 2.585 20 70 DFIDRO C[NH+]=C(NCc1cccs1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000160074490 332870874 /nfs/dbraw/zinc/87/08/74/332870874.db2.gz LPNVLAHATQPYKI-HIFRSBDPSA-N 1 0 317.462 2.603 20 70 DFIDRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccn(CCC(C)C)n1 ZINC000161230298 520827842 /nfs/dbraw/zinc/82/78/42/520827842.db2.gz MRFLYVPVOPTBAB-AWEZNQCLSA-N 1 0 309.458 2.781 20 70 DFIDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000160389439 521628374 /nfs/dbraw/zinc/62/83/74/521628374.db2.gz GIHKFEBJRQBXEZ-OAHLLOKOSA-N 1 0 321.469 2.877 20 70 DFIDRO C[NH+](C)[C@H]1CCN(C(=O)NCc2cccc(-c3ccccn3)c2)C1 ZINC000160354794 522102969 /nfs/dbraw/zinc/10/29/69/522102969.db2.gz RBEXUILWQGERHR-KRWDZBQOSA-N 1 0 324.428 2.594 20 70 DFIDRO COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC(=O)Nc2ccccc21 ZINC000160629737 522692423 /nfs/dbraw/zinc/69/24/23/522692423.db2.gz XXEWMXRWETVYHT-SJORKVTESA-N 1 0 324.424 2.960 20 70 DFIDRO COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC(=O)Nc2ccccc21 ZINC000160629519 522693056 /nfs/dbraw/zinc/69/30/56/522693056.db2.gz XXEWMXRWETVYHT-IRXDYDNUSA-N 1 0 324.424 2.960 20 70 DFIDRO COc1cc(O)c(C[N@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1OC ZINC000160284270 522773818 /nfs/dbraw/zinc/77/38/18/522773818.db2.gz KPGUFPXTCAWJBU-JLZZUVOBSA-N 1 0 321.417 2.655 20 70 DFIDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1OC ZINC000160435766 522779726 /nfs/dbraw/zinc/77/97/26/522779726.db2.gz UGODZCHMQWDEEF-RDTXWAMCSA-N 1 0 321.417 2.536 20 70 DFIDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(N2CCOCC2)cc1 ZINC000160439890 525386088 /nfs/dbraw/zinc/38/60/88/525386088.db2.gz LUVIBKMNBQXONP-IEZWGBDMSA-N 1 0 318.461 2.725 20 70 DFIDRO CSCCN(C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160411221 525490841 /nfs/dbraw/zinc/49/08/41/525490841.db2.gz LETPQNJPWVUDDY-GOEBONIOSA-N 1 0 321.490 2.654 20 70 DFIDRO Cc1csc(N2CCC([NH2+]C[C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000160491736 526376677 /nfs/dbraw/zinc/37/66/77/526376677.db2.gz DFWMEENMNLKZHQ-ZFWWWQNUSA-N 1 0 309.479 2.561 20 70 DFIDRO Cc1nc(C)c(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)s1 ZINC000159582029 186128943 /nfs/dbraw/zinc/12/89/43/186128943.db2.gz ITPSWUMJBMNSNF-XOBRGWDASA-N 1 0 308.472 2.969 20 70 DFIDRO COc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000159588778 186128960 /nfs/dbraw/zinc/12/89/60/186128960.db2.gz BVRYZDPIBVEMKC-RCBQFDQVSA-N 1 0 318.373 2.651 20 70 DFIDRO CCC[C@@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1)[NH+](C)C ZINC000159603490 186130489 /nfs/dbraw/zinc/13/04/89/186130489.db2.gz WXRWHUZHFGYSRP-WBVHZDCISA-N 1 0 303.450 2.502 20 70 DFIDRO [NH3+]C1(CNC(=O)CCC(=O)c2ccc(F)cc2F)CCCCC1 ZINC000159705979 186136914 /nfs/dbraw/zinc/13/69/14/186136914.db2.gz IXGIJGCZJXYLTA-UHFFFAOYSA-N 1 0 324.371 2.706 20 70 DFIDRO C=CCOc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1Cl ZINC000159726572 186137914 /nfs/dbraw/zinc/13/79/14/186137914.db2.gz IVWRKZDFVHPSMJ-UHFFFAOYSA-N 1 0 322.836 2.992 20 70 DFIDRO CC[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(OC)c(OC)c1 ZINC000159748917 186139371 /nfs/dbraw/zinc/13/93/71/186139371.db2.gz JPBAGVGQNAVORX-OAHLLOKOSA-N 1 0 303.406 2.721 20 70 DFIDRO CCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159719714 398966381 /nfs/dbraw/zinc/96/63/81/398966381.db2.gz WUYGRZLVWDVVTP-WMZOPIPTSA-N 1 0 316.445 2.966 20 70 DFIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1cccs1)C1CC1 ZINC000160738036 398971910 /nfs/dbraw/zinc/97/19/10/398971910.db2.gz ROTASJBZLCINKF-AWEZNQCLSA-N 1 0 319.474 2.906 20 70 DFIDRO CC[N@H+](CCCCS(C)(=O)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000161476036 398977179 /nfs/dbraw/zinc/97/71/79/398977179.db2.gz UNACUVXAQSGWNR-CQSZACIVSA-N 1 0 308.447 2.766 20 70 DFIDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000217881132 299377186 /nfs/dbraw/zinc/37/71/86/299377186.db2.gz XJILKAAWTKIXEC-LMOYCYGVSA-N 1 0 310.463 2.809 20 70 DFIDRO COc1ccc(OC)c(CC[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161470162 197497574 /nfs/dbraw/zinc/49/75/74/197497574.db2.gz NYSCEGPKCSGMAC-UHFFFAOYSA-N 1 0 321.417 2.522 20 70 DFIDRO CCC(CC)(C[NH3+])C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000161233266 197477694 /nfs/dbraw/zinc/47/76/94/197477694.db2.gz ZHNKPCLZHJZBEH-MRXNPFEDSA-N 1 0 320.477 2.899 20 70 DFIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(N2CCOC2=O)c1 ZINC000160538550 197420351 /nfs/dbraw/zinc/42/03/51/197420351.db2.gz LYGSTCZPEYGTQJ-UNEWFSDZSA-N 1 0 318.417 2.845 20 70 DFIDRO Cc1ccc([C@H](O)C[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000160320024 197399739 /nfs/dbraw/zinc/39/97/39/197399739.db2.gz CBFFHHHOGRKENS-MRXNPFEDSA-N 1 0 302.443 2.912 20 70 DFIDRO C[C@@H](Cc1ccccc1F)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000160268294 197396296 /nfs/dbraw/zinc/39/62/96/197396296.db2.gz ACDVINIKFLNJSM-OFQRWUPVSA-N 1 0 304.409 2.699 20 70 DFIDRO COCC(C)(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000160233415 197395105 /nfs/dbraw/zinc/39/51/05/197395105.db2.gz BVFKPHPRAPEBQS-UHFFFAOYSA-N 1 0 304.434 2.571 20 70 DFIDRO CCCCn1ncc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1C ZINC000160150099 197389330 /nfs/dbraw/zinc/38/93/30/197389330.db2.gz QWLHQINZNIJJJJ-OAHLLOKOSA-N 1 0 319.453 2.694 20 70 DFIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000160140855 197389275 /nfs/dbraw/zinc/38/92/75/197389275.db2.gz IIYAMPPNQPCRML-HNNXBMFYSA-N 1 0 313.401 2.614 20 70 DFIDRO Cc1cccc([C@@H](NC(=O)C[N@@H+](C)C(C)C)c2ccccn2)c1 ZINC000160075319 197383458 /nfs/dbraw/zinc/38/34/58/197383458.db2.gz YNQNAAFBZXTKKM-LJQANCHMSA-N 1 0 311.429 2.936 20 70 DFIDRO CC(C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000160051448 197381750 /nfs/dbraw/zinc/38/17/50/197381750.db2.gz HVIQDDQIEFGAKS-UONOGXRCSA-N 1 0 308.372 2.621 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000160105865 197386389 /nfs/dbraw/zinc/38/63/89/197386389.db2.gz TVYIGLHCPNVOFC-WBVHZDCISA-N 1 0 306.475 2.647 20 70 DFIDRO CCCCNC(=O)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000160098558 197385476 /nfs/dbraw/zinc/38/54/76/197385476.db2.gz FICVKWFINGTYIQ-CRAIPNDOSA-N 1 0 317.477 2.789 20 70 DFIDRO CCOC(=O)[C@@H](C)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160007990 197379724 /nfs/dbraw/zinc/37/97/24/197379724.db2.gz KJTCTJLPSQCKBQ-OAHLLOKOSA-N 1 0 319.449 2.572 20 70 DFIDRO CCN(C(=O)C[N@@H+]1CCCC[C@@H]1CO)[C@@H](C)c1ccc(F)cc1 ZINC000159960410 197377281 /nfs/dbraw/zinc/37/72/81/197377281.db2.gz SDNOFIFFDMXLFI-WMLDXEAASA-N 1 0 322.424 2.582 20 70 DFIDRO C[C@H](C[NH2+][C@@H]1CCCc2c1cnn2C)N1CCc2ccccc21 ZINC000159937704 197375238 /nfs/dbraw/zinc/37/52/38/197375238.db2.gz MYWJZDFYOYGAPL-RHSMWYFYSA-N 1 0 310.445 2.838 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)Cc2ccc(C)s2)CC1 ZINC000159888093 197370559 /nfs/dbraw/zinc/37/05/59/197370559.db2.gz LZYYKFZXPBQXDZ-ZDUSSCGKSA-N 1 0 309.479 2.725 20 70 DFIDRO C[C@H](C[NH2+][C@@H](C)c1cnn(C)c1)N1CCc2sccc2C1 ZINC000159860685 197369070 /nfs/dbraw/zinc/36/90/70/197369070.db2.gz WSWUGAVUVNNGNV-OLZOCXBDSA-N 1 0 304.463 2.579 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)NCCc2csc(C(C)C)n2)CC1 ZINC000159801856 197365439 /nfs/dbraw/zinc/36/54/39/197365439.db2.gz FGBJAGQRWZRTML-UHFFFAOYSA-N 1 0 324.494 2.546 20 70 DFIDRO COc1ccc(OC)c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159488851 197357408 /nfs/dbraw/zinc/35/74/08/197357408.db2.gz VIVGVJRZWRQZIF-OIISXLGYSA-N 1 0 303.402 2.751 20 70 DFIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000159510286 197359949 /nfs/dbraw/zinc/35/99/49/197359949.db2.gz NQZZAWXVDTVIKC-MRXNPFEDSA-N 1 0 303.450 2.745 20 70 DFIDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)CC[NH3+] ZINC000159456354 197355001 /nfs/dbraw/zinc/35/50/01/197355001.db2.gz HWNPKRNAIWXZCQ-NSHDSACASA-N 1 0 303.431 2.953 20 70 DFIDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000159506182 296362479 /nfs/dbraw/zinc/36/24/79/296362479.db2.gz QMCAUZXMCAPGJO-HNNXBMFYSA-N 1 0 319.449 2.506 20 70 DFIDRO CC(C)[NH2+]CCC(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000159658253 542718726 /nfs/dbraw/zinc/71/87/26/542718726.db2.gz HJCCHTGWPKFQBY-UHFFFAOYSA-N 1 0 318.461 2.830 20 70 DFIDRO Cc1nccc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1Cl ZINC000159801833 542719161 /nfs/dbraw/zinc/71/91/61/542719161.db2.gz MXTVZEJXRMMNCY-LLVKDONJSA-N 1 0 310.829 2.897 20 70 DFIDRO CCCCn1ncc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1C ZINC000159876139 542720000 /nfs/dbraw/zinc/72/00/00/542720000.db2.gz AGRBSMSWUTZMIQ-HNNXBMFYSA-N 1 0 319.453 2.597 20 70 DFIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC1CC=CC1 ZINC000159885705 542720294 /nfs/dbraw/zinc/72/02/94/542720294.db2.gz JDRJMZITADWRIT-UHFFFAOYSA-N 1 0 301.434 2.915 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)C1 ZINC000161313455 542728873 /nfs/dbraw/zinc/72/88/73/542728873.db2.gz BZDMOYQGDIQKIO-WDEREUQCSA-N 1 0 318.808 2.730 20 70 DFIDRO Cc1ccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC000161302304 542728989 /nfs/dbraw/zinc/72/89/89/542728989.db2.gz JGRGEJJEUPTZKY-MRXNPFEDSA-N 1 0 316.380 2.954 20 70 DFIDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)cn1 ZINC000161428288 542729664 /nfs/dbraw/zinc/72/96/64/542729664.db2.gz HXOYQVUOPRFNFQ-UHFFFAOYSA-N 1 0 302.378 2.579 20 70 DFIDRO CCCN(C(=O)c1ccc(C[NH3+])o1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000160630810 542723690 /nfs/dbraw/zinc/72/36/90/542723690.db2.gz IOBUAVYULCERBE-CABCVRRESA-N 1 0 308.422 2.794 20 70 DFIDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@@H](C)c2ccncc2)C1 ZINC000160810529 542725113 /nfs/dbraw/zinc/72/51/13/542725113.db2.gz QBTZGAZKFCOOIM-CVEARBPZSA-N 1 0 303.450 2.766 20 70 DFIDRO CCO[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C12CCC2 ZINC000160998688 542726066 /nfs/dbraw/zinc/72/60/66/542726066.db2.gz SRVPTLBEDAOTSV-RBSFLKMASA-N 1 0 322.836 2.804 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccccc2Oc2cccnc2)C1 ZINC000160999200 542726369 /nfs/dbraw/zinc/72/63/69/542726369.db2.gz XHCPYXOJTRQNHR-KBPBESRZSA-N 1 0 311.385 2.874 20 70 DFIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2csc(-c3cccs3)n2)C1 ZINC000161008423 542726432 /nfs/dbraw/zinc/72/64/32/542726432.db2.gz RZLXCBCCPHODLB-VHSXEESVSA-N 1 0 307.444 2.871 20 70 DFIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000161060220 542726744 /nfs/dbraw/zinc/72/67/44/542726744.db2.gz DHQOWZHGXQXTDH-KBPBESRZSA-N 1 0 318.808 2.525 20 70 DFIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccc(Cl)cc3)on2)C1 ZINC000161103492 542726820 /nfs/dbraw/zinc/72/68/20/542726820.db2.gz WYQYMAJMAQKFNY-OLZOCXBDSA-N 1 0 319.792 2.995 20 70 DFIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1csc(Br)c1 ZINC000217404414 542877223 /nfs/dbraw/zinc/87/72/23/542877223.db2.gz SHMYPBFOHGWOGT-VIFPVBQESA-N 1 0 319.268 2.971 20 70 DFIDRO [NH3+]C1(CNC(=O)C[C@@H]2CCOc3ccccc32)CCCCC1 ZINC000159477887 145219647 /nfs/dbraw/zinc/21/96/47/145219647.db2.gz XFVUYPLODVPTQE-AWEZNQCLSA-N 1 0 302.418 2.721 20 70 DFIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000159589702 145219810 /nfs/dbraw/zinc/21/98/10/145219810.db2.gz KVJRGNFZKNEKHX-KOLCDFICSA-N 1 0 318.314 2.930 20 70 DFIDRO [NH3+]C1(CNC(=O)C[C@H]2CCOc3ccccc32)CCCCC1 ZINC000159477998 145220101 /nfs/dbraw/zinc/22/01/01/145220101.db2.gz XFVUYPLODVPTQE-CQSZACIVSA-N 1 0 302.418 2.721 20 70 DFIDRO O[C@H]1CCCC[C@H]1C[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000160453066 145221083 /nfs/dbraw/zinc/22/10/83/145221083.db2.gz KTMJLBKYHHAOQY-LPHOPBHVSA-N 1 0 320.452 2.931 20 70 DFIDRO CO[C@H]1CCN(Cc2c(Cl)cccc2Cl)[C@H](C[NH3+])C1 ZINC000161008896 286059002 /nfs/dbraw/zinc/05/90/02/286059002.db2.gz XIGCXERCFVEURR-QWRGUYRKSA-N 1 0 303.233 2.932 20 70 DFIDRO Cc1ccc2nc(C)c(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2c1 ZINC000159935243 267532351 /nfs/dbraw/zinc/53/23/51/267532351.db2.gz BJNXYUAGZYJJHI-IYBDPMFKSA-N 1 0 309.413 2.818 20 70 DFIDRO O=C(N[C@@H](COCc1ccccc1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000159962327 267534076 /nfs/dbraw/zinc/53/40/76/267534076.db2.gz KDBJAGBJKAPJAR-OALUTQOASA-N 1 0 324.424 2.670 20 70 DFIDRO [NH3+]CC1(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CCCC1 ZINC000160832394 267541961 /nfs/dbraw/zinc/54/19/61/267541961.db2.gz CSVCHIOOURAMKU-CYBMUJFWSA-N 1 0 314.351 2.795 20 70 DFIDRO C[C@@H](Cn1cccn1)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000218099223 268140049 /nfs/dbraw/zinc/14/00/49/268140049.db2.gz SQDDSJOOJLAHRQ-NFOMZHRRSA-N 1 0 322.453 2.697 20 70 DFIDRO CC(C)[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000160419798 425982191 /nfs/dbraw/zinc/98/21/91/425982191.db2.gz BGEMZXGHIJOIIL-CQSZACIVSA-N 1 0 310.463 2.605 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)CC2 ZINC000160425763 425982283 /nfs/dbraw/zinc/98/22/83/425982283.db2.gz LQVIUMHLGLIBPK-GZMMTYOYSA-N 1 0 310.323 2.669 20 70 DFIDRO COC(=O)Cc1cccc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000160493108 425984487 /nfs/dbraw/zinc/98/44/87/425984487.db2.gz MEGCGENDVIZLLJ-MCIONIFRSA-N 1 0 318.417 2.602 20 70 DFIDRO C[C@H](CC(=O)NC1(c2cccc(F)c2)CC1)C1CC[NH2+]CC1 ZINC000160524997 425984914 /nfs/dbraw/zinc/98/49/14/425984914.db2.gz MFQRYSVLXLDRKP-CYBMUJFWSA-N 1 0 304.409 2.957 20 70 DFIDRO CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160527263 425985208 /nfs/dbraw/zinc/98/52/08/425985208.db2.gz WNARQSYWUCYUSS-OCCSQVGLSA-N 1 0 300.406 2.651 20 70 DFIDRO COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000160509629 425985252 /nfs/dbraw/zinc/98/52/52/425985252.db2.gz MGHIWQKLJAAHDA-ZVZYQTTQSA-N 1 0 307.434 2.914 20 70 DFIDRO Cc1cc(NC(=O)CCCCCC[NH3+])ccc1C(=O)N(C)C ZINC000160514790 425985743 /nfs/dbraw/zinc/98/57/43/425985743.db2.gz JYHCKLMHZPTJRG-UHFFFAOYSA-N 1 0 305.422 2.545 20 70 DFIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](Cc1cccc(C)c1)C1CC1)CC2 ZINC000160545772 425986257 /nfs/dbraw/zinc/98/62/57/425986257.db2.gz HMFFHUDMZNNYSF-QZTJIDSGSA-N 1 0 310.445 2.821 20 70 DFIDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160529375 425986608 /nfs/dbraw/zinc/98/66/08/425986608.db2.gz YKCVUIBRHRPGLB-MFKMUULPSA-N 1 0 320.824 2.914 20 70 DFIDRO Cn1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)c(-c2cccnc2)n1 ZINC000160555852 425987472 /nfs/dbraw/zinc/98/74/72/425987472.db2.gz HFCLPWNIHISEDL-OAHLLOKOSA-N 1 0 300.406 2.529 20 70 DFIDRO C[C@H]1CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c2ccccc21 ZINC000160593452 425988972 /nfs/dbraw/zinc/98/89/72/425988972.db2.gz AWQKUSZTLRHCTI-GWCFXTLKSA-N 1 0 300.324 2.893 20 70 DFIDRO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1NC(C)=O ZINC000160591821 425989105 /nfs/dbraw/zinc/98/91/05/425989105.db2.gz OFNIFZVBCSYNIE-MJEQTWJJSA-N 1 0 320.433 2.855 20 70 DFIDRO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC(C)(C)O ZINC000160604009 425989534 /nfs/dbraw/zinc/98/95/34/425989534.db2.gz KOITUIXEDBGPPX-JTQLQIEISA-N 1 0 318.339 2.783 20 70 DFIDRO Cc1ccc(C#N)c(N2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000161021346 426005818 /nfs/dbraw/zinc/00/58/18/426005818.db2.gz FCVGBIBOLOTNAZ-OAHLLOKOSA-N 1 0 307.401 2.904 20 70 DFIDRO C[NH2+][C@H]1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)C1 ZINC000160611861 425989940 /nfs/dbraw/zinc/98/99/40/425989940.db2.gz HHKWPFNLHRQFPX-FUHWJXTLSA-N 1 0 310.397 2.627 20 70 DFIDRO C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160607002 425990103 /nfs/dbraw/zinc/99/01/03/425990103.db2.gz BENSAZOIPJEOJZ-KGLIPLIRSA-N 1 0 307.507 2.884 20 70 DFIDRO CC(C)[C@H](C(=O)NCCc1csc(C(C)(C)C)n1)[NH+](C)C ZINC000160608238 425990183 /nfs/dbraw/zinc/99/01/83/425990183.db2.gz QNBBLPKZVSHUPT-CYBMUJFWSA-N 1 0 311.495 2.686 20 70 DFIDRO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000160653615 425990755 /nfs/dbraw/zinc/99/07/55/425990755.db2.gz FYZJVZJNJOXUEK-KRWDZBQOSA-N 1 0 309.475 2.907 20 70 DFIDRO COC[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)C(C)C ZINC000160753105 425994165 /nfs/dbraw/zinc/99/41/65/425994165.db2.gz WRPWOHSYQFZJBZ-IAGOWNOFSA-N 1 0 304.434 2.611 20 70 DFIDRO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160790732 425996264 /nfs/dbraw/zinc/99/62/64/425996264.db2.gz NUJOISNCBAYQCO-HUUCEWRRSA-N 1 0 314.433 2.828 20 70 DFIDRO [NH3+]CC1(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CCCC1 ZINC000160832275 425997286 /nfs/dbraw/zinc/99/72/86/425997286.db2.gz CSVCHIOOURAMKU-ZDUSSCGKSA-N 1 0 314.351 2.795 20 70 DFIDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCCCO1 ZINC000160875571 425999498 /nfs/dbraw/zinc/99/94/98/425999498.db2.gz FXWWRWVNAQNGRP-IRXDYDNUSA-N 1 0 302.418 2.509 20 70 DFIDRO CC[NH+]1CCC(CCNC(=O)Cc2nc(C)sc2C)CC1 ZINC000160872060 425999512 /nfs/dbraw/zinc/99/95/12/425999512.db2.gz REXUIGIRASQABY-UHFFFAOYSA-N 1 0 309.479 2.541 20 70 DFIDRO CC(C)(C)[S@](=O)Cc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000160861979 425999515 /nfs/dbraw/zinc/99/95/15/425999515.db2.gz ZLHPZGLBCFIVQQ-FPTDNZKUSA-N 1 0 322.474 2.672 20 70 DFIDRO C[C@H](C[NH2+][C@H]1CCCc2c1cnn2C)N(C)Cc1ccccc1 ZINC000160894200 426000072 /nfs/dbraw/zinc/00/00/72/426000072.db2.gz AYCPYLROKHEHHB-QAPCUYQASA-N 1 0 312.461 2.908 20 70 DFIDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC(=O)NC(C)C)c1 ZINC000160916587 426002239 /nfs/dbraw/zinc/00/22/39/426002239.db2.gz CQXFPRXHRYNQCS-LLVKDONJSA-N 1 0 300.349 2.772 20 70 DFIDRO COc1ccc(CNC(=O)C[NH2+][C@@H]2c3ccccc3C[C@H]2C)cc1 ZINC000160975196 426004335 /nfs/dbraw/zinc/00/43/35/426004335.db2.gz FIWMCZKHLNCFAZ-VLIAUNLRSA-N 1 0 324.424 2.835 20 70 DFIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)[C@H]3CCOC3)CC2)cc1 ZINC000160977659 426004397 /nfs/dbraw/zinc/00/43/97/426004397.db2.gz QKHFDCIQPDPYAY-RDJZCZTQSA-N 1 0 316.445 2.614 20 70 DFIDRO O=C(c1cncc(F)c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000159388995 425958663 /nfs/dbraw/zinc/95/86/63/425958663.db2.gz JLQHPZNXXKOPDN-INIZCTEOSA-N 1 0 311.360 2.846 20 70 DFIDRO COc1ccccc1[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000159466287 425960529 /nfs/dbraw/zinc/96/05/29/425960529.db2.gz UUSIBVAHLSKPHN-VQIMIIECSA-N 1 0 324.424 2.900 20 70 DFIDRO CCn1cnnc1[C@H]1CCC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000159441429 425960753 /nfs/dbraw/zinc/96/07/53/425960753.db2.gz JQLWVNGTSZVPFQ-HNNXBMFYSA-N 1 0 324.432 2.634 20 70 DFIDRO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)ccc1OC(C)C ZINC000159532761 425961357 /nfs/dbraw/zinc/96/13/57/425961357.db2.gz YHXDDJKGUNXNNU-HIFRSBDPSA-N 1 0 320.433 2.568 20 70 DFIDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000159498757 425962062 /nfs/dbraw/zinc/96/20/62/425962062.db2.gz CFKNETXCCHXZBR-YUMQZZPRSA-N 1 0 320.277 2.703 20 70 DFIDRO COC[C@H]([NH2+][C@@H]1CCCN(c2ccccc2C#N)C1)C(C)C ZINC000159498874 425962498 /nfs/dbraw/zinc/96/24/98/425962498.db2.gz KQPPVXCAIQCXOV-SJORKVTESA-N 1 0 301.434 2.788 20 70 DFIDRO O=C(CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000159593445 425962792 /nfs/dbraw/zinc/96/27/92/425962792.db2.gz IDKAXPWSDDQXPW-GASCZTMLSA-N 1 0 320.820 2.656 20 70 DFIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000159577813 425963061 /nfs/dbraw/zinc/96/30/61/425963061.db2.gz KZTFYBFOOSWOGR-KBXCAEBGSA-N 1 0 309.413 2.834 20 70 DFIDRO Cc1cccc(OCCCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159717044 425966389 /nfs/dbraw/zinc/96/63/89/425966389.db2.gz KFBYQWPWLXWXPT-CALCHBBNSA-N 1 0 316.445 2.897 20 70 DFIDRO NC(=O)CC1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000159746990 425966914 /nfs/dbraw/zinc/96/69/14/425966914.db2.gz YQNYLUKWKZPYDX-UHFFFAOYSA-N 1 0 307.463 2.888 20 70 DFIDRO CC[C@@H](Oc1ccccc1F)C(=O)NCC1([NH3+])CCCCC1 ZINC000159768984 425967534 /nfs/dbraw/zinc/96/75/34/425967534.db2.gz FKAIHJYQUVBPMZ-CQSZACIVSA-N 1 0 308.397 2.761 20 70 DFIDRO CN(C(=O)c1cc(C(F)(F)F)ccc1F)[C@H](C[NH3+])C1CC1 ZINC000159809763 425968219 /nfs/dbraw/zinc/96/82/19/425968219.db2.gz XRPOZCHFBJWWOG-GFCCVEGCSA-N 1 0 304.287 2.654 20 70 DFIDRO COCCC1(C(=O)N2CCC([NH2+]CC3CC3)CC2)CCCC1 ZINC000159866515 425969069 /nfs/dbraw/zinc/96/90/69/425969069.db2.gz UKXWOGMSHAOKMT-UHFFFAOYSA-N 1 0 308.466 2.574 20 70 DFIDRO O=C(c1cnc(-c2ccccc2)s1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159911887 425970428 /nfs/dbraw/zinc/97/04/28/425970428.db2.gz USGGKJBFOHXSSG-OKILXGFUSA-N 1 0 313.426 2.777 20 70 DFIDRO CCCS(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160018709 425972421 /nfs/dbraw/zinc/97/24/21/425972421.db2.gz DXIORVWYKARHHM-WBVHZDCISA-N 1 0 324.490 2.711 20 70 DFIDRO CCCCN(C(=O)C[C@H]1C[NH2+]CCO1)[C@@H](C)c1ccccc1 ZINC000160183861 425976841 /nfs/dbraw/zinc/97/68/41/425976841.db2.gz CNONZTPSPBQCFV-RDJZCZTQSA-N 1 0 304.434 2.755 20 70 DFIDRO CC[C@@H]([NH2+][C@H](CCO)CSC)c1ccc(OC)c(OC)c1 ZINC000160243880 425978017 /nfs/dbraw/zinc/97/80/17/425978017.db2.gz KHWHIOOTMKFVGU-ZIAGYGMSSA-N 1 0 313.463 2.859 20 70 DFIDRO C#CCCCCNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000160292967 425978120 /nfs/dbraw/zinc/97/81/20/425978120.db2.gz ZWGQHCDSHHZNDW-UHFFFAOYSA-N 1 0 313.445 2.538 20 70 DFIDRO COc1cc(CCNC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)ccc1C ZINC000160317348 425979733 /nfs/dbraw/zinc/97/97/33/425979733.db2.gz WCDXZNXPNBVSRB-YESZJQIVSA-N 1 0 316.445 2.583 20 70 DFIDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000161413510 426023188 /nfs/dbraw/zinc/02/31/88/426023188.db2.gz ITNBOENFYZBUKN-RDJZCZTQSA-N 1 0 324.490 2.995 20 70 DFIDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161442475 426024784 /nfs/dbraw/zinc/02/47/84/426024784.db2.gz YFUPUNPCVHUVEP-GFCCVEGCSA-N 1 0 301.434 2.661 20 70 DFIDRO Cc1ccc2cc(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)ccc2n1 ZINC000161465400 426025257 /nfs/dbraw/zinc/02/52/57/426025257.db2.gz ADIFZRFDFIQTGI-KRWDZBQOSA-N 1 0 309.413 2.854 20 70 DFIDRO C[C@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H]1c1cccc(F)c1 ZINC000161485713 426026437 /nfs/dbraw/zinc/02/64/37/426026437.db2.gz VINXYTKLLXXKJR-OWQGQXMQSA-N 1 0 320.408 2.504 20 70 DFIDRO C[NH2+]C[C@@H]1CCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161494272 426026683 /nfs/dbraw/zinc/02/66/83/426026683.db2.gz RPXHRSXLBYDHQF-NSHDSACASA-N 1 0 301.203 2.630 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000161510829 426027163 /nfs/dbraw/zinc/02/71/63/426027163.db2.gz ZEMFNRMBRUGNJS-MNNVXMFVSA-N 1 0 317.477 2.544 20 70 DFIDRO CC[C@H](C)NC(=O)c1cccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000161086432 426007585 /nfs/dbraw/zinc/00/75/85/426007585.db2.gz BLKCATVLLWAODY-RLFYNMQTSA-N 1 0 317.477 2.645 20 70 DFIDRO C[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)Oc1ccc(F)cc1 ZINC000161125422 426010392 /nfs/dbraw/zinc/01/03/92/426010392.db2.gz DWVZZKYCEILFOQ-UONOGXRCSA-N 1 0 322.424 2.735 20 70 DFIDRO Cc1cccc(O[C@@H](C)CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000161166983 426011656 /nfs/dbraw/zinc/01/16/56/426011656.db2.gz XHKNLXLYOGIADY-XYTVBORESA-N 1 0 316.445 2.799 20 70 DFIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000161153142 426011753 /nfs/dbraw/zinc/01/17/53/426011753.db2.gz CNKCZUBTFACNBY-QPUJVOFHSA-N 1 0 304.818 2.737 20 70 DFIDRO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)C(C)(C)C[NH3+] ZINC000161200332 426012949 /nfs/dbraw/zinc/01/29/49/426012949.db2.gz QPZXNESCSSFRIL-UHFFFAOYSA-N 1 0 314.433 2.597 20 70 DFIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1csc(-c2ccc(C)cc2)n1 ZINC000161221945 426013982 /nfs/dbraw/zinc/01/39/82/426013982.db2.gz FPSZZFNTWCGAGN-CQSZACIVSA-N 1 0 315.442 2.943 20 70 DFIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000161210835 426014056 /nfs/dbraw/zinc/01/40/56/426014056.db2.gz VWUSWCYVZDIDBF-HOCLYGCPSA-N 1 0 324.490 2.615 20 70 DFIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000161258562 426014701 /nfs/dbraw/zinc/01/47/01/426014701.db2.gz WEOBXUNHZWKYQJ-RBUKOAKNSA-N 1 0 308.425 2.694 20 70 DFIDRO CO[C@@H](C(=O)N1CCN(C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000161267444 426016180 /nfs/dbraw/zinc/01/61/80/426016180.db2.gz JXSVPFPLYPKPQV-RBUKOAKNSA-N 1 0 324.424 2.889 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@@H](C2CCCCC2)N(C)C)CC1 ZINC000161302384 426018731 /nfs/dbraw/zinc/01/87/31/426018731.db2.gz OIKTWWYMEZHBGT-ABHNRTSZSA-N 1 0 309.498 2.534 20 70 DFIDRO COc1ccc2ccccc2c1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161342378 426019412 /nfs/dbraw/zinc/01/94/12/426019412.db2.gz XOKNTZJHNWPOJK-IBGZPJMESA-N 1 0 312.413 2.854 20 70 DFIDRO COCCC1(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000161340049 426020021 /nfs/dbraw/zinc/02/00/21/426020021.db2.gz HGTYJWDOMQXVAW-HNNXBMFYSA-N 1 0 320.433 2.658 20 70 DFIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000161334142 426020135 /nfs/dbraw/zinc/02/01/35/426020135.db2.gz HWKANBXJJOYESS-NILFDRSVSA-N 1 0 320.383 2.669 20 70 DFIDRO CC[NH+]1CCC(N(C)Cc2nnc(-c3cc(C)oc3C)o2)CC1 ZINC000161351657 426020819 /nfs/dbraw/zinc/02/08/19/426020819.db2.gz KUTHYQKPKYUXKA-UHFFFAOYSA-N 1 0 318.421 2.863 20 70 DFIDRO CC(=O)NC1CCC([NH2+]Cc2coc(-c3cccs3)n2)CC1 ZINC000161367585 426021385 /nfs/dbraw/zinc/02/13/85/426021385.db2.gz WQFYYFJNRYXQLK-UHFFFAOYSA-N 1 0 319.430 2.940 20 70 DFIDRO Cc1ccc(OCCCCNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000161375338 426021819 /nfs/dbraw/zinc/02/18/19/426021819.db2.gz RQOBCDDXFXZWGY-GOSISDBHSA-N 1 0 304.434 2.660 20 70 DFIDRO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161396117 426022135 /nfs/dbraw/zinc/02/21/35/426022135.db2.gz VQASMWPRSZNKMA-CQSZACIVSA-N 1 0 300.381 2.743 20 70 DFIDRO CCOC(=O)[C@H]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000218094767 426565223 /nfs/dbraw/zinc/56/52/23/426565223.db2.gz QNQSHPLPFJDBIJ-ZWKOTPCHSA-N 1 0 316.445 2.536 20 70 DFIDRO C[C@@H]([NH2+]Cc1cnc[nH]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218176960 426566329 /nfs/dbraw/zinc/56/63/29/426566329.db2.gz JUVNBVUCISQGSU-OLZOCXBDSA-N 1 0 308.426 2.535 20 70 DFIDRO CSCC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000216829345 426561102 /nfs/dbraw/zinc/56/11/02/426561102.db2.gz XIGKFZKQHCRAHR-UHFFFAOYSA-N 1 0 302.846 2.960 20 70 DFIDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@@H](O)COC(C)C)c1 ZINC000216896792 426562792 /nfs/dbraw/zinc/56/27/92/426562792.db2.gz CZHANKDCQGFTNY-PBHICJAKSA-N 1 0 323.433 2.627 20 70 DFIDRO CC(=O)NC1CCC([NH2+]C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 ZINC000161341141 277024451 /nfs/dbraw/zinc/02/44/51/277024451.db2.gz NWGCNIZGKCLFBJ-AGERRDQYSA-N 1 0 309.498 2.534 20 70 DFIDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000159605261 278036851 /nfs/dbraw/zinc/03/68/51/278036851.db2.gz KAXZVXFYBQVIQO-JSGCOSHPSA-N 1 0 319.405 2.804 20 70 DFIDRO Cc1cc(C#N)ccc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000159479901 280316376 /nfs/dbraw/zinc/31/63/76/280316376.db2.gz OTIFWIPODDCKHG-OAHLLOKOSA-N 1 0 313.426 2.961 20 70 DFIDRO Cc1cc(C)cc(-c2nnc(NC(=O)[C@H]([NH3+])C(C)C)s2)c1 ZINC000160117986 280413066 /nfs/dbraw/zinc/41/30/66/280413066.db2.gz VKGDQDGECHGFFM-GFCCVEGCSA-N 1 0 304.419 2.744 20 70 DFIDRO C[NH+](C)C[C@@H](NC(=O)NC[C@@]1(C)CCCS1)c1ccccc1 ZINC000159442269 289188768 /nfs/dbraw/zinc/18/87/68/289188768.db2.gz PALQLQWVZPWOLY-NVXWUHKLSA-N 1 0 321.490 2.874 20 70 DFIDRO COc1cc(C)cc(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000159639526 295379352 /nfs/dbraw/zinc/37/93/52/295379352.db2.gz IACQFQGMMFJSPI-MRXNPFEDSA-N 1 0 321.465 2.779 20 70 DFIDRO CCC(CC)(C[NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(=O)OC ZINC000159654077 295379906 /nfs/dbraw/zinc/37/99/06/295379906.db2.gz AUQIMYLZUNWFCE-UHFFFAOYSA-N 1 0 312.341 2.803 20 70 DFIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCc2cccc(F)c2C1 ZINC000159725907 295380901 /nfs/dbraw/zinc/38/09/01/295380901.db2.gz IIZORZHZIKTETD-AWEZNQCLSA-N 1 0 319.424 2.768 20 70 DFIDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCc2cccc(F)c2C1 ZINC000159735299 295381338 /nfs/dbraw/zinc/38/13/38/295381338.db2.gz QWQSFBOHXOXWHT-OAHLLOKOSA-N 1 0 321.440 2.870 20 70 DFIDRO CC(C)[N@H+](CCNC(=O)OC(C)(C)C)CCc1nccs1 ZINC000159774561 295381787 /nfs/dbraw/zinc/38/17/87/295381787.db2.gz OKJKADCNGFZYLE-UHFFFAOYSA-N 1 0 313.467 2.921 20 70 DFIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)NCc1cccs1 ZINC000159842724 295382588 /nfs/dbraw/zinc/38/25/88/295382588.db2.gz BJNOZTDLLQGVNK-UHFFFAOYSA-N 1 0 323.487 2.774 20 70 DFIDRO CC(C)[NH+](CCCNC(=O)NC1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000159833576 295382623 /nfs/dbraw/zinc/38/26/23/295382623.db2.gz POQWNWZQCQEWCW-HUUCEWRRSA-N 1 0 313.486 2.751 20 70 DFIDRO CCOCC[N@@H+]1CCN(Cc2cc(F)ccc2C#N)C[C@H]1CC ZINC000159954403 295384806 /nfs/dbraw/zinc/38/48/06/295384806.db2.gz JHDXHOMODNYKDL-GOSISDBHSA-N 1 0 319.424 2.630 20 70 DFIDRO COc1cc(C)cc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000160029665 295385635 /nfs/dbraw/zinc/38/56/35/295385635.db2.gz QDBGBKXSYQWHEE-AWEZNQCLSA-N 1 0 321.465 2.779 20 70 DFIDRO COC(C)(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000160071107 295386133 /nfs/dbraw/zinc/38/61/33/295386133.db2.gz SCVNJHMYTUFWJM-OLZOCXBDSA-N 1 0 300.443 2.837 20 70 DFIDRO C[C@]1(C(=O)NCC[NH+]2CCCCC2)CCCc2ccccc21 ZINC000160246001 295388409 /nfs/dbraw/zinc/38/84/09/295388409.db2.gz MTWHKJBLMJARKI-IBGZPJMESA-N 1 0 300.446 2.883 20 70 DFIDRO Cc1cccc2[nH]c(CNC(=O)[C@H](C)[NH+]3CCCCCC3)nc21 ZINC000160315826 295389982 /nfs/dbraw/zinc/38/99/82/295389982.db2.gz VXLDEVDWXBZTFO-AWEZNQCLSA-N 1 0 314.433 2.752 20 70 DFIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C1CCCCC1)N(C)C ZINC000160416170 295390818 /nfs/dbraw/zinc/39/08/18/295390818.db2.gz VQCIDCFLAMKIPS-RDJZCZTQSA-N 1 0 311.514 2.734 20 70 DFIDRO C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000160458804 295391448 /nfs/dbraw/zinc/39/14/48/295391448.db2.gz RYRYESDBFAMOMM-HNNXBMFYSA-N 1 0 304.434 2.514 20 70 DFIDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)ccc1C ZINC000160505047 295391902 /nfs/dbraw/zinc/39/19/02/295391902.db2.gz SYHYWOZETDJOOB-MRXNPFEDSA-N 1 0 304.434 2.854 20 70 DFIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000160536812 295392403 /nfs/dbraw/zinc/39/24/03/295392403.db2.gz CQJXHXVELOTTFE-KGLIPLIRSA-N 1 0 317.433 2.728 20 70 DFIDRO COC(=O)c1ccc([C@H](C)[NH+]2CCC(c3cc[nH]n3)CC2)o1 ZINC000160551169 295392448 /nfs/dbraw/zinc/39/24/48/295392448.db2.gz BBCRSXIXBBMJQK-NSHDSACASA-N 1 0 303.362 2.730 20 70 DFIDRO O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160561350 295393084 /nfs/dbraw/zinc/39/30/84/295393084.db2.gz UCQFUVXKJZBPMW-YOEHRIQHSA-N 1 0 312.413 2.937 20 70 DFIDRO CCOc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160588240 295393390 /nfs/dbraw/zinc/39/33/90/295393390.db2.gz XCFVAUCMOQNLPE-MRXNPFEDSA-N 1 0 304.434 2.936 20 70 DFIDRO CCC(CC)n1ncc(C(=O)NC[C@@H]2CC[N@H+](CC)C2)c1C ZINC000160660875 295394250 /nfs/dbraw/zinc/39/42/50/295394250.db2.gz NRRKTBFFBYHHFT-AWEZNQCLSA-N 1 0 306.454 2.624 20 70 DFIDRO CC(C)n1cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cn1 ZINC000160698360 295394628 /nfs/dbraw/zinc/39/46/28/295394628.db2.gz KFIIYXJQGYBQDO-UHFFFAOYSA-N 1 0 307.442 2.706 20 70 DFIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@H]1c1ccc[nH]1 ZINC000160887740 295396263 /nfs/dbraw/zinc/39/62/63/295396263.db2.gz WJNOBFQPGCGHRL-PBHICJAKSA-N 1 0 316.449 2.878 20 70 DFIDRO COc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccn(C)c1 ZINC000160940781 295396713 /nfs/dbraw/zinc/39/67/13/295396713.db2.gz MRZACGKURNDALR-UHFFFAOYSA-N 1 0 321.808 2.758 20 70 DFIDRO CCc1cc(=O)[nH]c(C[N@H+](C)CCCc2ccc(OC)cc2)n1 ZINC000160976611 295397059 /nfs/dbraw/zinc/39/70/59/295397059.db2.gz QIWHNNSQEFEPJO-UHFFFAOYSA-N 1 0 315.417 2.818 20 70 DFIDRO CCCNC(=O)C1([NH2+]Cc2cnc3ccccn23)CCCCC1 ZINC000160974752 295397103 /nfs/dbraw/zinc/39/71/03/295397103.db2.gz YMGVYRLKSXNRIY-UHFFFAOYSA-N 1 0 314.433 2.653 20 70 DFIDRO CC(C)C[C@@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000161022990 295397743 /nfs/dbraw/zinc/39/77/43/295397743.db2.gz YOHSPWOBLQFLMS-ZWKOTPCHSA-N 1 0 318.461 2.564 20 70 DFIDRO CCOCCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160596046 332885707 /nfs/dbraw/zinc/88/57/07/332885707.db2.gz IUSAXEQEDZZORD-UHFFFAOYSA-N 1 0 305.300 2.738 20 70 DFIDRO CC(C)n1nccc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000160349869 520092559 /nfs/dbraw/zinc/09/25/59/520092559.db2.gz VZQSZPFEQWVPAM-WMLDXEAASA-N 1 0 306.454 2.704 20 70 DFIDRO CCOC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160196216 520117065 /nfs/dbraw/zinc/11/70/65/520117065.db2.gz CTRDQOBFGMRFGO-CYBMUJFWSA-N 1 0 309.406 2.658 20 70 DFIDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159489732 520288494 /nfs/dbraw/zinc/28/84/94/520288494.db2.gz AYRYGSKSNKJPDB-HNNXBMFYSA-N 1 0 303.450 2.806 20 70 DFIDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160359428 520290346 /nfs/dbraw/zinc/29/03/46/520290346.db2.gz PZPWVGOPLORERI-XJKSGUPXSA-N 1 0 313.449 2.708 20 70 DFIDRO COC[C@@H]([NH2+]CCOc1cccc(Br)c1)C1CC1 ZINC000161036598 522350724 /nfs/dbraw/zinc/35/07/24/522350724.db2.gz WDQUSHIBXVBNRG-CQSZACIVSA-N 1 0 314.223 2.843 20 70 DFIDRO COC[C@@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)C1CC1 ZINC000161140956 522381419 /nfs/dbraw/zinc/38/14/19/522381419.db2.gz IAIAPOJWWPIXKW-KBXCAEBGSA-N 1 0 324.415 2.944 20 70 DFIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000160691800 522392413 /nfs/dbraw/zinc/39/24/13/522392413.db2.gz NFDRUNNWVZYHTN-MRXNPFEDSA-N 1 0 311.429 2.836 20 70 DFIDRO COCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160502276 523213751 /nfs/dbraw/zinc/21/37/51/523213751.db2.gz XUQQYQJEJWRTHU-YIONKMFJSA-N 1 0 312.454 2.885 20 70 DFIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)C1CCOCC1 ZINC000159884572 525491543 /nfs/dbraw/zinc/49/15/43/525491543.db2.gz DGOCCKNJQKFUQB-UONOGXRCSA-N 1 0 308.491 2.899 20 70 DFIDRO CS[C@H]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)C1 ZINC000160284623 525904106 /nfs/dbraw/zinc/90/41/06/525904106.db2.gz FSBOECKEGQHLCZ-QLFBSQMISA-N 1 0 313.511 2.642 20 70 DFIDRO Oc1ccccc1C[N@@H+](CC1=CCCOC1)C[C@@H]1CCCO1 ZINC000160198668 526371550 /nfs/dbraw/zinc/37/15/50/526371550.db2.gz WURHQUGZMAXLGQ-KRWDZBQOSA-N 1 0 303.402 2.720 20 70 DFIDRO O=C(CCCOc1ccccc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160476651 526450320 /nfs/dbraw/zinc/45/03/20/526450320.db2.gz VGKVQCFUDWNBLI-OKILXGFUSA-N 1 0 322.836 2.852 20 70 DFIDRO O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160463005 527675877 /nfs/dbraw/zinc/67/58/77/527675877.db2.gz AIUPQVNTZTUSLQ-SJORKVTESA-N 1 0 323.481 2.556 20 70 DFIDRO COC(C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1)OC ZINC000160799015 536501439 /nfs/dbraw/zinc/50/14/39/536501439.db2.gz GRLDYEPYRFGBTQ-UHFFFAOYSA-N 1 0 303.406 2.560 20 70 DFIDRO